Crystallography Open Database

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Searching year of publication is 2024

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3000496 CIFCo O2C 1 m 14.83; 2.82; 4.5
90; 98; 90
60.696Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela
Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties
Advanced Materials Interfaces, 2024
1571502 CIFBa O3 TiP m -3 m4.00944; 4.00944; 4.00944
90; 90; 90
64.454Namade, Lahu D.; Patil, Amitkumar R.; Jadhav, Sonali R.; Dongale, Tukaram D.; Rajpure, Keshav Y.
Exploring bipolar resistive switching behavior of sprayed BaTiO3 thin films for nonvolatile memory application
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2024, 692, 133902
7063465 CIFIn Ni2P 63/m m c4.1889; 4.1889; 5.123
90; 90; 120
77.849Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun
Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes
New Journal of Chemistry, 2024, 48, 18241-18248
1571907 CIFCu OC 1 2/c 14.6313; 3.395; 5.0794
90; 99.3885; 90
78.79Pawar, Shweta M.; Patil, Satyajeet S.; Sonawane, Kailas D.; More, Vikramsinh B.; Patil, Pramod S.
Hydrothermally synthesized copper oxide nanoparticles: Rietveld analysis and antimicrobial studies
Surfaces and Interfaces, 2024, 51, 104598
1572227 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572228 CIF
Paper
H2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572229 CIF
Paper
H1.999998 O1.000002P 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572230 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572231 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572232 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572233 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572234 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
1572235 CIFH2 OP 63/m m c4.3815; 4.3815; 7.183
90; 90; 120
119.42Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof
Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.
IUCrJ, 2024, 11
2300734 CIFGa H O2P n m a9.78216; 2.97127; 4.51938
90; 90; 90
131.358Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction
Journal of Applied Crystallography, 2024, 57
1571591 CIFFe O4 WP 1 2/c 14.7537; 5.7244; 4.9738
90; 90.0801; 90
135.347Patil, Amitkumar R.; Dongale, Tukaram D.; Pedanekar, Rupesh S.; Sutar,Santosh S.; Kamat, Rajanish K.; Rajpure, Keshav Y.
Multilevel resistive switching in hydrothermally synthesized FeWO4 thin film-based memristive device for non-volatile memory application
Journal of Colloid and Interface Science, 2024, 669, 444
7715583 CIFNb O3 RbA m m 23.99374; 5.8217; 5.8647
90; 90; 90
136.356Yamamoto, Ayako; Murase, Kimitoshi; Sato, Takeru; Sugiyama, Kazumasa; Kawamata, Toru; Inaguma, Yoshiyuki; Yamaura, Jun-Ichi; Shitara, Kazuki; Yokoi, Rie; Moriwake, Hiroki
Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO<sub>3</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7044-7052
2312561 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312562 CIF
Paper
C H4 N2 OP -4 21 m5.596; 5.596; 4.7164
90; 90; 90
147.7Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
7134008 CIFS2.67 WP 1 21/m 15.679; 3.24; 9.624
90; 99.25; 90
174.8Sun, Ruijin; Li, Haodong; Zhang, Duo; Liu, Zhaolong; Ma, Yuxin; Meng, Dezhong; Zhao, Changchun
Topochemical synthesis of anion-intercalated transition metal dichalcogenide superconductor S<sub>0.66(2)</sub>WS<sub>2</sub>.
Chemical communications (Cambridge, England), 2024, 60, 15043-15046
2023189 CIF
Paper
Bi F5I 4/m6.4439; 6.4439; 4.226
90; 90; 90
175.48Wassermann, Tobias Burghardt; Kraus, Florian
Rerefinement of the crystal structure of BiF5
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7132674 CIFB2 F O4 SbP -14.3436; 6.3169; 7.0009
92.888; 95.126; 104.803
184.44Hu, Chenhui; Wu, Mengfan; Han, Jian; Yang, Zhihua; Han, Shujuan; Pan, Shilie
New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation.
Chemical communications (Cambridge, England), 2024, 60, 2653-2656
7716890 CIFB2.46 Ir2C 1 2/m 110.5515; 2.8842; 6.0965
90; 91.121; 90
185.5Sologub, Oksana; Salamakha, Leonid P.; Stöger, Berthold; Mori, Takao; Barisic, Neven; Rogl, Peter F.; Michor, Herwig; Bauer, Ernst
Crystal structures, bonding and electronic structures of α- and β-Ir<sub>2</sub>B<sub>3-<i>x</i></sub> compounds.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15859-15871
2312381 CIF
HKL
Al F H2 O2P 1 21/c 15.1788; 7.8386; 5.1624
90; 116.276; 90
187.91Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu
Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
1570447 CIFC4 H10 OP -15.0182; 5.575; 7.136
97.36; 102.81; 97.72
190.31Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312627 CIF
Paper
C Cl2 SP 63/m5.947142; 5.947142; 6.236672
90; 90; 120
191.029Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312628 CIF
Paper
C Cl2 SP 63/m5.948306; 5.948306; 6.241408
90; 90; 120
191.249Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312629 CIF
Paper
C Cl2 SP 63/m5.94993; 5.94993; 6.248669
90; 90; 120
191.576Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312630 CIF
Paper
C Cl2 SP 63/m5.951973; 5.951973; 6.257723
90; 90; 120
191.986Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312631 CIF
Paper
C Cl2 SP 63/m5.954232; 5.954232; 6.268135
90; 90; 120
192.451Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312632 CIF
Paper
C Cl2 SP 63/m5.956673; 5.956673; 6.279521
90; 90; 120
192.959Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312633 CIF
Paper
C Cl2 SP 63/m5.959287; 5.959287; 6.291645
90; 90; 120
193.501Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312634 CIF
Paper
C Cl2 SP 63/m5.961975; 5.961975; 6.304428
90; 90; 120
194.069Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312635 CIF
Paper
C Cl2 SP 63/m5.964911; 5.964911; 6.317775
90; 90; 120
194.672Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312636 CIF
Paper
C Cl2 SP 63/m5.967823; 5.967823; 6.331802
90; 90; 120
195.294Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312637 CIF
Paper
C Cl2 SP 63/m5.970876; 5.970876; 6.346393
90; 90; 120
195.945Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570446 CIFC4 H10 OP -15.072; 5.629; 7.215
97.43; 102.91; 97.15
196.6Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312638 CIF
Paper
C Cl2 SP 63/m5.973921; 5.973921; 6.361643
90; 90; 120
196.616Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312639 CIF
Paper
C Cl2 SP 63/m5.977085; 5.977085; 6.377402
90; 90; 120
197.312Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1571667 CIFMo N4 Zn3P m n 216.549; 5.673; 5.3115
90; 90; 90
197.34Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
2312640 CIF
Paper
C Cl2 SP 63/m5.98029; 5.98029; 6.393824
90; 90; 120
198.032Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570445 CIFC4 H10 OP -15.0809; 5.6329; 7.2451
97.382; 102.749; 97.002
198.13Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1571668 CIFN8 W1.66 Zn6.34P m n 216.5602; 5.6813; 5.3235
90; 90; 90
198.41Rom, Christopher L.; O'Donnell, Shaun; Huang, Kayla; Klein, Ryan A.; Kramer, Morgan J.; Smaha, Rebecca W.; Zakutayev, Andriy
Low-temperature synthesis of cation-ordered bulk Zn<sub>3</sub>WN<sub>4</sub> semiconductor <i>via</i> heterovalent solid-state metathesis.
Chemical science, 2024, 15, 9709-9718
2312641 CIF
Paper
C Cl2 SP 63/m5.983549; 5.983549; 6.410593
90; 90; 120
198.768Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312642 CIF
Paper
C Cl2 SP 63/m5.986904; 5.986904; 6.42811
90; 90; 120
199.535Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312643 CIF
Paper
C Cl2 SP 63/m5.990647; 5.990647; 6.446911
90; 90; 120
200.369Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312644 CIF
Paper
C Cl2 SP 63/m5.994491; 5.994491; 6.46654
90; 90; 120
201.237Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312645 CIF
Paper
C Cl2 SP 63/m5.998426; 5.998426; 6.487189
90; 90; 120
202.144Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
1570444 CIFC4 H10 OP -15.1196; 5.6659; 7.2999
97.275; 102.728; 96.747
202.56Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2312624 CIF
HKL
C Mo Si2 Y2P 4/m b m6.9525; 6.9525; 4.1962
90; 90; 90
202.83Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312646 CIF
Paper
C Cl2 SP 63/m6.0025; 6.0025; 6.50883
90; 90; 120
203.094Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312626 CIFC Cl2 SP 63/m6.0132; 6.0132; 6.513
90; 90; 120
203.95Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312647 CIF
Paper
C Cl2 SP 63/m6.006775; 6.006775; 6.53172
90; 90; 120
204.099Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
7248397 CIFB4 Co1.76 Ni4.24 O12P n n m4.4917; 5.4314; 8.3789
90; 90; 90
204.41Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr
Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates
CrystEngComm, 2024, 26, 2536-2543
2300744 CIFC Bi2 O5I 4/m m m3.867; 3.867; 13.689
90; 90; 90
204.701Nomine, A. V.; Ghanbaja, J.; Redjaimia, A.; Belmonte, T.
Structural characteristics of Bi2O2CO3 nanosheets synthesized by nano-pulsed discharges in water
Journal of Applied Crystallography, 2024, 57, 1456-1465
7248872 CIFC6 H13 Br0.97 Cl0.03 N2P -6 m 26.6645; 6.6645; 5.3238
90; 90; 120
204.78Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1571398 CIFAl2.86 FeC m c m7.635; 6.392; 4.2007
90; 90; 90
205.01Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng
Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction
Metals, 2024, 14, 337
2312648 CIF
Paper
C Cl2 SP 63/m6.011293; 6.011293; 6.55562
90; 90; 120
205.154Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
7248874 CIFC6 H13 Br0.95 I0.05 N2P -6 m 26.6793; 6.6793; 5.3178
90; 90; 120
205.46Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
2312625 CIF
HKL
C Gd2 Mo Si2P 4/m b m6.9945; 6.9945; 4.202
90; 90; 90
205.57Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
7248875 CIFC6 H13 Br0.9 I0.1 N2P -6 m 26.6949; 6.6949; 5.3265
90; 90; 120
206.76Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7248871 CIFC6 H13 Br0.8 I0.2 N2P -6 m 26.7014; 6.7014; 5.3164
90; 90; 120
206.77Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1571954 CIFC H6 Br3 N PbP m -3 m5.9175; 5.9175; 5.9175
90; 90; 90
207.212Testa, Marianna; De Santis, Antonio; Tinti, Gemma; Paoloni, Alessandro; Papalino, Giuseppe; Felici, Giulietto; Chubinidze, Zaza; Matteocci, Fabio; Auf der Maur, Matthias; Rizzato, Silvia; Lo Presti, Leonardo; Viola, Ilenia; Morganti, Silvio; Rovelli, Chiara
Direct detection of minimum ionizing charged particles in a perovskite single crystal detector with single particle sensitivity.
Nanoscale, 2024, 16, 12918-12922
2300736 CIF
HKL
Paper
Ga NdC m c m4.4329; 11.246; 4.1735
90; 90; 90
208.06Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
1572810 CIFAg0.33 Pb0.33 Sb0.33 SeF m -3 m5.9268; 5.9268; 5.9268
90; 90; 90
208.19Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver
Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
Crystals, 2024, 14, 789
2300737 CIF
HKL
Paper
Ga NdC m c m4.1855; 11.9137; 4.1857
90; 90; 90
208.72Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
2300738 CIF
HKL
Paper
Ga NdC m c m4.16; 12.0374; 4.1825
90; 90; 90
209.44Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
7062967 CIFB4 H16 HfP -4 3 m5.946; 5.946; 5.946
90; 90; 90
210.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7248873 CIFC6 H13 Br0.8 I0.2 N2P -6 m 26.7541; 6.7541; 5.3383
90; 90; 120
210.9Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7062966 CIFB4 H16 ZrP -4 3 m5.955; 5.955; 5.955
90; 90; 90
211.2Burkmann, Konrad; Habermann, Franziska; Schumann, Erik; Kraus, Jakob; Störr, Bianca; Schmidt, Horst; Brendler, Erica; Seidel, Jürgen; Bohmhammel, Klaus; Kortus, Jens; Mertens, Florian
Structural and thermodynamic investigations of Zr(BH4)4 and Hf(BH4)4 between 280 K and their decomposition temperatures
New Journal of Chemistry, 2024, 48, 2743-2754
7249581 CIFC5 H12 N O4 ReP 15.807; 6.087; 6.157
95.814; 94.57; 100.825
211.57Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7248870 CIFC6 H13 Br0.74 I0.26 N2P -6 m 26.8015; 6.8015; 5.3298
90; 90; 120
213.53Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7248869 CIFC6 H13 Br0.64 I0.36 N2P -6 m 26.8337; 6.8337; 5.3349
90; 90; 120
215.76Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
1573720 CIFBa2 Cl6 Fe2P 16.81558; 6.81558; 5.365548
90; 90; 120
215.849Farhan Noor
A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3 (X = Cl, Br, I)
Physica Scripta, 2024, 99, 125962
7248868 CIFC6 H13 Br0.27 I0.73 N2P -6 m 26.9445; 6.9445; 5.3334
90; 90; 120
222.75Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
7063440 CIFBa Se3P -4 21 m7.2871; 7.2871; 4.2516
90; 90; 90
225.77Srivastava, Komal; Ray, Akshay K.; Yadav, Sweta; Deepa, Melepurath; Prakash, Jai
A low-temperature solution route for the synthesis of single crystals of BaSe3 and its photovoltaic study
New Journal of Chemistry, 2024, 48, 16869-16876
7715808 CIFAs4 Li9.33 Si0.67F m -3 m6.131; 6.131; 6.131
90; 90; 90
230.46Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
7248867 CIFC6 H13 Br0.19 I0.81 N2P -6 m 27.0554; 7.0554; 5.3478
90; 90; 120
230.54Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo
Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains
CrystEngComm, 2024, 26, 3468-3474
2300743 CIFCa0.45 O3 Pb0.55 TiP n a 217.777666; 5.518537; 5.527827
90; 90; 90
237.262Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei
Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies
Journal of Applied Crystallography, 2024, 57, 808-817
7715809 CIFAs4 Li9.33 Sn0.67F m -3 m6.193; 6.193; 6.193
90; 90; 90
237.52Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li<sub>3</sub>As stabilized by substitution - Li<sub>8</sub>TtAs<sub>4</sub> (Tt = Si, Ge) and Li<sub>14</sub>TtAs<sub>6</sub> (Tt = Si, Ge, Sn) and their lithium ion conductivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11257-11263
1570435 CIFC2 H6 OP 1 21/c 15.5073; 6.493; 6.8431
90; 103.848; 90
237.59Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570434 CIFC2 H6 OP 1 21/c 15.5277; 6.527; 6.8941
90; 103.869; 90
241.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570433 CIFC2 H6 OP 1 21/c 15.5541; 6.6179; 6.964
90; 103.835; 90
248.55Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7716393 CIFC5 H3 Co O5P -13.3576; 9.0091; 9.5434
113.881; 99.313; 93.915
257.61Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.
A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11326-11343
1571397 CIFAl3.12 Fe1.63P -14.8569; 6.4389; 8.7323
87.837; 74.463; 83.06
261.17Liu, Yibo; Fan, Changzeng; Wen, Bin; Xu, Zhefeng; Fu, Ruidong; Zhang, Lifeng
Orientation Relationship of Intergrowth Al2Fe and Al5Fe2 Intermetallics Determined by Single-Crystal X-ray Diffraction
Metals, 2024, 14, 337
7714835 CIFC2 H2 K N5 O2P 1 21 14.07223; 10.00743; 6.99455
90; 104.204; 90
276.331Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 903-907
2312499 CIFGe4.158 N4 O4 Sn0.842P 63 m c5.839; 5.839; 9.365
90; 90; 120
276.51Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248574 CIFF3 H Mn Na2 O4 PP 1 21/m 15.6785; 7.7011; 6.8171
90; 109.673; 90
280.72Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure
CrystEngComm, 2024, 26, 2796-2802
7714834 CIFC2 H5 N5 O3P 1 21 15.16088; 8.67413; 6.54739
90; 106.652; 90
280.81Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 903-907
2312498 CIFGe4 N4 O4 SnP 63 m c5.876; 5.876; 9.418
90; 90; 120
281.6Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248175 CIFCa3 Ga3 O14 Si2 TaP 3 2 18.112; 8.112; 4.9862
90; 90; 120
284.16Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke
Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method
CrystEngComm, 2024, 26, 1550-1555
1572959 CIFMg8 O16 Si4P 14.72942; 10.1528; 5.94525
90; 90; 90
285.472Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
7249583 CIFC4 H12 N2 O8 Re2P -16.2945; 7.3292; 7.3349
115.398; 107.627; 90.178
287.83Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
2023129 CIF
Paper
Li Lu Mo2 O8I 41/a :25.1052; 5.1052; 11.08
90; 90; 90
288.78Hartenbach, Ingo; Hertweck, Robin F.
Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1572967 CIFMg2 O4 SiP b n m4.7523; 10.2027; 5.9821
90; 90; 90
290.05Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572966 CIFMg2 O4 SiP b n m4.7542; 10.2048; 5.9839
90; 90; 90
290.31Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572960 CIFMg8 O16 Si4P 14.756; 10.2035; 5.983
90; 90; 90
290.342Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572968 CIFMg2 O4 SiP b n m4.753; 10.2084; 5.9848
90; 90; 90
290.386Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
1572969 CIFMg2 O4 SiP b n m4.7515; 10.2127; 5.9854
90; 90; 90
290.445Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.
Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.
IUCrJ, 2024, 11
2312435 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.5888; 5.3664; 8.5293
90; 105.389; 90
290.77Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312437 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.594; 5.3718; 8.5241
90; 105.39; 90
291.11Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2300735 CIFGa2 O3R -3 c :H4.99945; 4.99945; 13.50095
90; 90; 120
292.24Ding, Ning; Shi, Honglong; Zhang, Zeqian; Luo, Minting; Hu, Zhenfei
Dehydroxylation and structural transition in α-GaOOH investigated by in situ X-ray diffraction
Journal of Applied Crystallography, 2024, 57
7133192 CIFC5 H6 O4P -15.006; 7.2628; 8.6451
106.71; 102.405; 92.116
292.37Kulathungage, Lakshani W.; Kurup, Sudheer S.; Browne, Edison A.; Spalink, Gabriel H.; Ward, Cassandra L.; Lord, Richard L.; Groysman, Stanislav
Efficient carbene transfer reactivity mediated by Fe(II) complexes supported by bulky alkoxides.
Chemical communications (Cambridge, England), 2024, 60, 7033-7036
7248935 CIFC2 H6 N6 O2P -15.2112; 7.849; 7.88
78.116; 76.103; 73.73
297.01Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
2312559 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312560 CIF
Paper
C2 H5 N O2P 1 21/n 15.11; 11.81; 5.44
90; 113.1; 90
302Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
7715457 CIFIn0.8 Mn1.76 Si2 Te6P -3 1 m7.0483; 7.0483; 7.1277
90; 90; 120
306.65Shahid, Omair; Yadav, Sweta; Manna, Kaustuv; Thakur, Gohil S.; Prakash, Jai
Low thermal conductivity in a new mixed metal telluride Mn<sub>1.8(1)</sub>In<sub>0.8(1)</sub>Si<sub>2</sub>Te<sub>6</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6245-6255
1572479 CIFC12 H20 P2P -15.1758; 5.3182; 11.4365
88.01; 83.733; 80.367
308.46Yoon, Joseph S.; Abdellaoui, Mehdi; Gembicky, Milan; Bertrand, Guy
A carbene-stabilized diphosphorus: a triple-bonded diphosphorus (P[triple bond, length as m-dash]P) and a bis(phosphinidene) (P-P) transfer agent.
Chemical science, 2024, 15, 15713-15716
7714975 CIFC2 H2 F Na O5 SnP -15.988; 7.2468; 8.2925
111.02; 107.986; 96.873
308.54Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong
Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2619-2625
2022992 CIF
HKL
Paper
C8 H12 Cu N6 O6P -16.8465; 7.1097; 7.209
79.267; 83.193; 64.076
309.8Petrenko, Yuliia P.; Vynohradov, Oleksandr S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Shova, Sergiu; Lampeka, Rostyslav D.
Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1<i>H</i>-1,2,4-triazole-3-carboxyl-ato)copper(II).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 54-57
2023188 CIF
Paper
C6 H10 Cd I2 N6P -15.1007; 6.9544; 9.047
83.198; 79.962; 81.742
311.289Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym
Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium diiodide
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2312571 CIF
HKL
Paper
C8 H14 Ni O12P -15.178; 7.3254; 9.1449
108.423; 104.583; 92.929
315.25Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
1571421 CIFC4 H4 N2 O2 SP -15.4317; 7.1254; 8.5194
95.165; 96.669; 104.049
315.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7133359 CIFC14 H8 N2 O8P -14.9931; 5.055; 12.7089
87.739; 85.844; 80.408
315.34Omura, Takumi; Morisako, Shogo; Isoda, Kyosuke
Amino acid-appended pyromellitic diimide liquid materials, their photoluminescence, and the thermal response that turns the photoluminescence off.
Chemical communications (Cambridge, England), 2024, 60, 9352-9355
7717323 CIFO4 Pb TeI 1 2/a 15.4142; 4.9471; 12.0437
90; 99.603; 90
318.07Hladik, Michael; Penz, Armin; Purtscher, Felix R. S.; Hofer, Thomas S.; Heymann, Gunter; Weil, Matthias
High-pressure synthesis and crystal structure analysis of PbTeO<sub>4</sub>, a UV transparent material.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19214-19225
2312570 CIF
HKL
Paper
C8 H14 Co O12P -15.2222; 7.3322; 9.2293
109.125; 104.376; 93.224
319.76Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312572 CIF
HKL
Paper
C8 H14 O12 ZnP -15.2307; 7.3259; 9.2246
108.753; 104.626; 93.202
320.23Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7249534 CIFC5 H4 K N5P 1 21 16.648; 7.4057; 7.122
90; 113.802; 90
320.81Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine E. A.
Crystal structures of potassium and cesium salts of adenine: the role of alkali cations
CrystEngComm, 2024, 26, 6805-6812
7248445 CIFC10 F18P -15.7499; 7.1098; 9.2311
111.689; 89.194; 111.435
323.19Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
1571167 CIF
Paper
Nd0.67 O4 WI 41/a :25.3048; 5.3048; 11.4999
90; 90; 90
323.62Knies, Benjamin; Hartenbach, Ingo
Crystal structure of defect scheelite-type Nd2/3[WO4]
IUCrData, 2024, 9
7248441 CIFC10 F18P -15.7433; 7.1269; 9.2269
111.701; 89.034; 111.392
323.68Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7249994 CIFC17 H11 Cl O2P 14.9955; 5.9148; 11.7073
103.743; 98.978; 97.252
327.06Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Anugam, Vamshi Krishna; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2024
7248444 CIFC10 F18P -15.7954; 7.1695; 9.3027
111.803; 89.4664; 111.572
330.1Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248442 CIFC10 F18P -15.7891; 7.1855; 9.3
111.813; 89.307; 111.525
330.64Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2312569 CIF
HKL
Paper
C8 H14 Mn O12P -15.3263; 7.3743; 9.3688
109.863; 104.606; 93.344
330.69Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248446 CIFC10 F18P -15.94; 7.257; 9.19
111.733; 89.911; 113.546
332.33Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7063481 CIFC2 H K N6 O4P 1 21 14.8171; 9.132; 7.6157
90; 92.019; 90
334.805Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
7248991 CIFC6 Au3 Cd K N6P 3 1 26.8645; 6.8645; 8.2138
90; 90; 120
335.19Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E.
A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd).
Physical chemistry chemical physics : PCCP, 2024, 26, 20576-20584
1571504 CIFBa3 Cl F14 Hf2 KP -4 m 25.7439; 5.7439; 10.2541
90; 90; 90
338.31Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping
KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.
Chemical science, 2024, 15, 8500-8505
7248443 CIFC10 F18P -15.8708; 7.2213; 9.3736
111.871; 90.014; 111.475
338.87Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
1571503 CIFBa3 Cl F14 K Zr2P -4 m 25.7502; 5.7502; 10.2521
90; 90; 90
338.98Yan, Mei; Hu, Chun-Li; Tang, Ru-Ling; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping
KBa<sub>3</sub>M<sub>2</sub>F<sub>14</sub>Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties.
Chemical science, 2024, 15, 8500-8505
7249274 CIFC5 H5 Cl N2 O SP -15.0499; 7.4591; 9.4964
90.462; 91.106; 108.081
339.94Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V.
Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate
RSC Advances, 2024, 14, 27894-27903
7248453 CIFC10 F18P -16.0143; 7.3233; 9.274
111.955; 90.006; 113.796
341.11Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248283 CIFC7 H8 O3P -17.1414; 7.6229; 7.6784
62.162; 68.379; 76.408
342.61Thirumalaisamy, Anitha; Karuppannan, Srinivasan
Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments
CrystEngComm, 2024, 26, 1902-1911
2312425 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312426 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312427 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312428 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
1572678 CIFLu2 O6 TeP 3 2 18.9459; 8.9459; 5.0618
90; 90; 120
350.819Cao, Tingting; Guo, Feifei; Hu, Fuai; Tao, Xutang; Gao, Zeliang
Novel laser crystal Lu2TeO6: crystal growth, thermal properties, and spectral analysis
CrystEngComm, 2024, 26, 5953-5959
2023072 CIF
Paper
C8 H7 N O2P -16.6279; 7.3272; 8.2308
67.271; 83.403; 73.006
352.58Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard
Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 388-391
7248636 CIFC7 H4 N2 O2 SP -16.9301; 7.3617; 8.2491
91.5; 107.919; 115.929
353.72Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7132472 CIFC5 H4 N6 O2P 1 21 16.6812; 7.0171; 7.8472
90; 104.571; 90
356.06Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.
Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.
Chemical communications (Cambridge, England), 2024, 60, 827-830
7160210 CIFC4 H2 N6 S2P 1 21/n 13.7758; 18.2803; 5.4893
90; 109.377; 90
357.42Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7132415 CIFB4 O9 Pb TeP -16.574; 6.7445; 9.8903
70.105; 78.877; 61.726
362.88Zhang, Ruonan; Tudi, Abudukadi; Yang, Xia; Wang, Xuping; Yang, Zhihua; Han, Shujuan; Pan, Shilie
PbTeB<sub>4</sub>O<sub>9</sub>: a lead tellurium borate with unprecedented fundamental building block [B<sub>4</sub>O<sub>10</sub>] and large birefringence.
Chemical communications (Cambridge, England), 2024, 60, 340-343
7715721 CIFC10 H28 Al2 N2P -17.0931; 7.1791; 7.9448
65.927; 79.774; 85.949
363.51Huster, Niklas; Mullins, Rita; Nolan, Michael; Devi, Anjana
Self-reducing precursors for aluminium metal thin films: evaluation of stable aluminium hydrides for vapor phase aluminium deposition.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7711-7720
7132970 CIFFe Nb Te2P 1 21/c 17.28; 6.305; 7.992
90; 92.33; 90
366.5Stepanova, Anna V.; Mironov, Andrei V.; Bogach, Alexey V.; Azarevich, Andrey N.; Presniakov, Igor A.; Sobolev, Alexey V.; Pankratov, Denis A.; Zayakhanov, Vladimir A.; Starchikov, Sergey S.; Verchenko, Valeriy Yu; Shevelkov, Andrei V.
Bulk ferromagnetism in cleavable van der Waals telluride NbFeTe<sub>2</sub>.
Chemical communications (Cambridge, England), 2024, 60, 5518-5521
1571115 CIFC H8 Mg N2 O7 SP -15.214; 7.7014; 10.4275
68.758; 77.177; 71.498
367.38Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana
New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O
Crystals, 2024, 14, 227
7063271 CIFC4 H6 N10P 1 21/n 13.5601; 12.1278; 8.6009
90; 96.628; 90
368.87Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan
Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability
New Journal of Chemistry, 2024, 48, 12697-12705
1573568 CIF
Paper
H4 O10 S2 SnP 1 21/c 17.03475; 5.65165; 9.70464
90; 106.852; 90
369.267Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer
Sn(SO4)2·2H2O from synchrotron powder data
IUCrData, 2024, 9
7248017 CIFC12 H23 N O6P 15.8953; 7.8109; 8.5294
71.666; 86.269; 86.169
371.586Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong
Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing
Green Chemistry, 2024, 26, 2673-2683
7160211 CIFC4 H2 N6 S2P 1 21/c 15.4717; 9.3558; 7.3148
90; 95.154; 90
372.95Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7133878 CIFC7 Cl6 N PP m -3 m7.2009; 7.2009; 7.2009
90; 90; 90
373.39Ernst, Moritz J.; Kleoff, Merlin; Voßnacker, Patrick; Thiele, Günther; Müller, Christian; Riedel, Sebastian
A polychloride-enabled synthesis of [NEt<sub>3</sub>Me][PCl<sub>6</sub>] serving as a potential PCl<sub>3</sub>-storage and PCl<sub>5</sub>-reagent.
Chemical communications (Cambridge, England), 2024, 60, 13372-13375
2312597 CIF
HKL
Paper
C14 H10 Cd N2 O10P -14.9317; 5.441; 14.014
84.255; 88.521; 87.532
373.7Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao
2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
1573680 CIF
Paper
C2 H7 Ce O8 SP -16.8424; 6.9984; 8.7888
110.448; 90.099; 107.307
373.851Ruser, Niklas; Näther, Christian; Stock, Norbert
2024
7063485 CIFC2 H Cs N6 O4P -14.92; 8.99; 9.6109
65.39; 84.667; 75.517
374.17Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
2312706 CIF
HKL
C10 H9 Cu2 Mo2 N2 O8.5P -15.612; 5.7724; 12.4665
95.99; 93.999; 110.227
374.444Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
7715832 CIFAg Co F5C 1 2/c 17.274; 7.628; 7.529
90; 115.976; 90
375.55Jezierski, Daniel; Mazej, Zoran; Grochala, Wojciech
Novel ternary Ag<sup>II</sup>Co<sup>III</sup>F<sub>5</sub> fluoride: synthesis, structure and magnetic characteristics.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13731-13742
7248937 CIFC4 H9 N7P 1 21/m 17.0037; 7.0175; 7.7191
90; 96.937; 90
376.6Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7249351 CIFC9 H9 N O2P 1 21 15.3771; 5.7567; 12.4675
90; 101.824; 90
377.73Heiner, Benjamin R.; Handy, Kaitlyn M.; Devlin, Angela M.; Soucek, Jewel L.; Pittsford, Alexander M.; Turner, David A.; Petersen, Jacob P.; Oliver, Allen G.; Corcelli, Steven A.; Kandel, S. Alex
Enantiopure molecules form apparently racemic monolayers of chiral cyclic pentamers.
Physical chemistry chemical physics : PCCP, 2024, 26, 25430-25438
1571766 CIFFe0.6666 Na2 O6 Te1.3333R -3 :H5.2598; 5.2598; 15.778
90; 90; 120
378.03Eder, Felix; Weil, Matthias
Ilmenite-type Na2(Fe2/3Te4/3)O6
IUCrData, 2024, 9
7133780 CIFC6 Cl4 Ga NP m -3 m7.2333; 7.2333; 7.2333
90; 90; 90
378.45Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong
An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.
Chemical communications (Cambridge, England), 2024, 60, 11992-11995
7715512 CIFCr I3 O9P 639.1319; 9.1319; 5.2815
90; 90; 120
381.43Chi, Yang; Xin, Mei-Ling
Chromium iodate: the structure and origin of optical second harmonic generation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7093-7099
1571471 CIFC3 Na2 O2I 1 2/a 18.313; 7.2925; 6.4432
90; 102.186; 90
381.8Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe
Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.
Angewandte Chemie (International ed. in English), 2024, e202402978
7716193 CIFC8 H16 Br4 O2 ZrP -17.142; 7.5304; 8.0799
87.085; 68.311; 71.788
382.53Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9862-9873
7133890 CIFC6 H4 Cl2 N2 Ni OP 1 2/c 13.52; 8.96; 12.17
90; 93.05; 90
383Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.
Chemical communications (Cambridge, England), 2024, 60, 14427-14430
1572907 CIFC7 H10 Cl N OP 1 21/m 16.2444; 9.2125; 6.7656
90; 94.855; 90
387.81Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
7716927 CIFK3 O8 P2 TbP 1 21/m 17.4128; 5.5975; 9.458
90; 90.65; 90
392.4Chornii, Vitalii; Terebilenko, Kateryna; Gural'skiy, Il'ya; Slobodyanik, Mykola; Zozulia, Valeriia; Shova, Sergiu; Zhydachevskyy, Yaroslav; Nedilko, Serhii G.
Structural and spectroscopic insights into the performance of K<sub>3</sub>Tb(PO<sub>4</sub>)<sub>2</sub> green phosphor.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15583-15594
7717495 CIFC2 N2 O2 PbP n m a8.5689; 3.941; 11.66
90; 90; 90
393.76Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
7133086 CIFC5 H12 I NI 4/m7.3846; 7.3846; 7.2299
90; 90; 90
394.263Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024, 60, 6488-6491
2023296 CIF
Paper
C5 H6 Br I N2P -15.2152; 7.8039; 10.1294
93.3762; 104.111; 96.4297
395.71Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.
Salts of 2-amino-5-iodopyridinium
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1230-1234
7133888 CIFC6 H4 Cl2 N2 Ni SP m m a12.67; 3.55; 8.87
90; 90; 90
399Myatt, Emily; Lata, Simrun; Pitcairn, Jem; Daisenberger, Dominik; Kronawitter, Silva M.; Hallweger, Sebastian A.; Kieslich, Gregor; Argent, Stephen P.; Tidey, Jeremiah P.; Cliffe, Matthew J.
Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl<sub>2</sub>(btd)<sub>1-<i>x</i></sub>(bod)<sub><i>x</i></sub>.
Chemical communications (Cambridge, England), 2024, 60, 14427-14430
7247984 CIFCl0.5 Na4.5 O8 P2 ZnP -15.1554; 8.9641; 9.1377
100.539; 104.874; 90.936
400.36Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga
Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl
CrystEngComm, 2024, 26, 848-855
7249353 CIFC7 H8 N4 O2P 1 n 13.8744; 12.8898; 8.1167
90; 98.965; 90
400.4Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.
Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint
RSC Advances, 2024, 14, 29774-29788
1572727 CIF
Paper
C2 H4 Br N OP 1 21/c 110.373; 5.1899; 7.557
90; 99.94; 90
400.7Schwarzer, Anke; Stapf, Manuel
2-Bromoacetamide
IUCrData, 2024, 9
1572954 CIF
Paper
C8 H8 Cl N O2P 1 21 16.5088; 5.1758; 12.2175
90; 101.649; 90
403.11El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef
2024
7247651 CIFAs2 Eu In2R -3 m :H4.2102; 4.2102; 26.3814
90; 90; 120
404.98Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L.
Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>.
Physical chemistry chemical physics : PCCP, 2024, 26, 8695-8703
7249608 CIFC10 H20 N4 O8 P2P -16.999; 7.137; 9.596
104.55; 93.32; 117.03
405Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts
CrystEngComm, 2024, 26, 6861-6872
1571154 CIFC8 H4 N2 Se2P 1 21/n 14.1984; 8.1335; 12.0157
90; 96.9877; 90
407.26Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
7716073 CIFCr Mn6 O12 PbI m -37.41679; 7.41679; 7.41679
90; 90; 90
407.989Xue, Man; Yan, Xiaohui; Xu, Deyang; Zheng, Bin; Guo, Wenbin; Kuang, Xiaojun; Lei, Xiuyun; Yin, Congling
High-pressure synthesis of A-site ordered perovskite PbMn<sub>3</sub>(CrMn<sub>3</sub>)O<sub>12</sub> with long-range antiferromagnetic ordering and a spin glass transition.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9819-9826
1571116 CIFC H10 Mg N2 O8 SP 1 21 15.2452; 7.708; 10.23
90; 94.291; 90
412.44Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana
New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O
Crystals, 2024, 14, 227
7248294 CIFC22 H11 N5P -17.03; 7.8302; 7.8567
73.722; 88.51; 84.102
412.95Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
7717285 CIFB5 H3 K Na O10P -16.6157; 6.6221; 11.1837
78.713; 76.654; 60.592
413.33Li, Xiaojing; Zhang, Luyong; Li, Fuming; Yang, Zhihua; Hou, Xueling; Zhang, Fangfang
Syntheses, structures and properties of two new members of the pentaborate family: NaKB<sub>5</sub>O<sub>8</sub>(OH)·H<sub>2</sub>O and KB<sub>5</sub>O<sub>8</sub>·2H<sub>2</sub>O.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18782-18788
7715798 CIFF K Mn O4 PP 21 21 214.7884; 9.0172; 9.5801
90; 90; 90
413.65Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Simonov, Sergei; Volkov, Anatoliy S.; Dimitrova, Olga V.; Korolev, Vladimir V.; Ovchenkov, Yevgeniy A.; Vasiliev, Alexander N.
Crystal structure of KMnPO<sub>4</sub>F with short- and long-range order inside the layered magnetic system.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9216-9223
7717497 CIFC H N O Pb SeP n m a8.6244; 4.1674; 11.5412
90; 90; 90
414.81Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
1570442 CIFC4 H10 OP 1 21/c 16.7612; 8.0271; 7.6687
90; 93.784; 90
415.29Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1570443 CIFC4 H10 OI 1 2/a 17.7073; 4.0885; 13.233
90; 93.793; 90
416.08Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7247857 CIFC9 H6 N2 O2P -13.7781; 7.5804; 14.7776
94.101; 93.691; 96.948
417.9Qi, Jing; Wang, Xiyan; Wang, Gan; Dubbaka, Srinivas Reddy; O'Neill, Patrick; Ang, Hwee Ting; Wu, Jie
Sustainable electrocatalytic oxidation of N-alkylamides to acyclic imides using H2O
Green Chemistry, 2024, 26, 306-311
7063352 CIFC2 H3 F10 O SbP -16.3267; 7.8117; 8.5217
85.971; 87.605; 85.482
418.54Steiner, Sebastian; Shafiq, Zurwa M.; Nitzer, Alexander; Hollenwäger, Dirk; Kornath, Andreas J.
HF-addition to haloacetyl fluorides in superacidic media
New Journal of Chemistry, 2024, 48, 13846-13853
1570441 CIFC4 H10 OP 1 21/c 16.7759; 8.0552; 7.6873
90; 93.713; 90
418.7Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
2023182 CIF
Paper
C10 H10 N2P 1 21 15.6651; 5.7566; 13.2321
90; 101.732; 90
422.51Hayward, Emily R.; Zeller, Matthias; Mezei, Gellert
Chiral <i>versus</i> achiral crystal structures of 4-benzyl-1<i>H</i>-pyrazole and its 3,5-di-amino derivative.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 800-805
1570440 CIFC4 H10 OP 1 21/c 16.7948; 8.0952; 7.7259
90; 93.621; 90
424.12Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248180 CIFC6 H7 O6 RbP -17.6763; 7.938; 8.2274
73.068; 67.252; 68.824
424.37Kavitha, S.; Vizhi, R. Ezhil
Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications
RSC Advances, 2024, 14, 6016-6027
7248292 CIFC23 H12 N4P -17.1852; 7.8039; 7.9484
73.766; 83.955; 88.769
425.52Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
7063548 CIFC4 H F8 O2 SbP -17.68; 7.9588; 8.2202
102.824; 104.736; 110.992
425.53Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
3000475 CIFC9 H8 N O2P -14.6343; 7.5342; 12.9284
74.649; 84.853; 78.442
426.15Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
Crystal Growth & Design, 2024, 24, 7222-7234
7248004 CIFC3 F2 IP 1 21/c 17.9881; 6.0289; 9.0193
90; 100.291; 90
427.38Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie
Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction
CrystEngComm, 2024, 26, 764-772
7159947 CIFC8 H12 O5P 1 21 18.5474; 5.4514; 9.7185
90; 109.269; 90
427.47Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana
First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.
Organic & biomolecular chemistry, 2024, 22, 4864-4867
7248509 CIFC4 H12 Br PP 63 m c7.02188; 7.02188; 10.03217
90; 90; 120
428.383Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
CrystEngComm, 2024, 26, 2673-2682
2023092 CIF
Paper
As2 H7 N Ni3 O10C 1 2/m 110.178; 5.9156; 7.7158
90; 112.658; 90
428.71Eder, Felix; Weil, Matthias
Synthesis and crystal structure of (NH4)[Ni3(HAsO4)(AsO4)(OH)2]
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1572909 CIFC7 H9 Cl2 N OP 1 21/m 16.9789; 7.1228; 8.6438
90; 92.072; 90
429.4Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
1572534 CIFB3 K2 La2 Na O9A m m 25.1775; 11.4157; 7.2715
90; 90; 90
429.78Song, Jie; Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui; Wu, Yicheng
A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates.
Chemical science, 2024, 15, 16196-16204
2023205 CIF
Paper
C18 H14 F4 N2 O4P -14.6106; 8.839; 10.969
99.33; 99.431; 96.442
430.7Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.
Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2312557 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
2312558 CIF
Paper
C3 H7 N O2P 21 21 215.89; 5.99; 12.22
90; 90; 90
431Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria
TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277
1570439 CIFC4 H10 OP 1 21/c 16.8268; 8.1428; 7.7731
90; 93.443; 90
431.32Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248449 CIFC10 H18P 1 21/n 15.267; 10.4832; 7.8148
90; 90.8405; 90
431.45Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2023140 CIF
Paper
C19 H17 N O5 SP 15.526; 8.5012; 10.1076
110.91; 98.128; 96.006
432.885Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1571767 CIF
Paper
C6 H11 N O6 SP 1 21 14.8838; 18.3867; 5.1522
90; 110.325; 90
433.85Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.
(S)-2-Carboxyethyl L-cysteinyl sulfone
IUCrData, 2024, 9
7159755 CIFC5 H5 O2C 1 m 16.3968; 15.9612; 4.3338
90; 100.453; 90
435.14Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran
Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.
Organic & biomolecular chemistry, 2024, 22, 1038-1046
7063250 CIFBa Cu2 Se2P n m a9.607; 4.2145; 10.786
90; 90; 90
436.71Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7716392 CIFC5 H Co O4C 1 2/m 16.1151; 17.44; 4.5477
90; 115.606; 90
437.37Hulushe, Siya T.; Watkins, Gareth M.; Khanye, Setshaba D.
A cobalt(II) coordination polymer-derived catalyst engineered <i>via</i> temperature-induced semi-reversible single-crystal-to-single-crystal (SCSC) dehydration for efficient liquid-phase epoxidation of olefins.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11326-11343
7062914 CIFC4 H3 N9 O5P 1 21 18.078; 6.215; 8.92
90; 102.188; 90
437.7Li, Jingwen; Zhang, Xun; Wang, Yaxi; Su, Dongshuai; Pang, Siping; He, Chunlin
Towards improved comprehensive energetic properties by skeleton modification
New Journal of Chemistry, 2024, 48, 1067-1070
1570438 CIFC2 H6 OP -14.25; 8.198; 12.6105
90.641; 93.97; 90.04
438.3Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7714750 CIFCe Cl Mo O4P 1 c 19.5513; 5.793; 7.9495
90; 90.014; 90
439.851Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
2312692 CIF
Paper
C2 H Cl2 F6 O2 SbP 1 21 16.1616; 10.8379; 6.8805
90; 106.472; 90
440.61Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.
Protonated oxalyl chloride and the ClCO<sup>+</sup> cation.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248460 CIFC10 H18P 1 21/n 15.3191; 10.564; 7.858
90; 90.7843; 90
441.51Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2312436 CIF
HKL
B6 K3 O18 Sr3 Y3R -3 m :H5.3798; 5.3798; 17.6988
90; 90; 120
443.62Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312377 CIF
HKL
C10 H8 N2 O2P -17.0199; 7.072; 9.6216
91.482; 98.773; 109.115
444.57Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7159825 CIFC1.54 H1.38 N0.46P -16.3402; 7.4033; 10.8259
102.832; 92.959; 114.223
445.98Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu
Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.
Organic & biomolecular chemistry, 2024, 22, 2384-2388
7063252 CIFAg0.22 Ba Cu1.78 Se2P n m a9.697; 4.2397; 10.866
90; 90; 90
446.7Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7714974 CIFC6 F6 Na4 O12 Sn4P -16.0386; 8.8061; 9.1295
69.581; 81.532; 83.003
448.71Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong
Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2619-2625
1571378 CIFC7 H7 F3 N4 O2P 1 21/m 15.0459; 9.373; 9.5454
90; 96.187; 90
448.82Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7716100 CIFC8 H2 O2 S4P 1 21/c 13.8723; 11.708; 9.9274
90; 90.31; 90
450.07Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique
Radical and diradical states of bis(molybdenocene dithiolene) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9763-9776
1572916 CIFC16 H23 Cl3 N2 O2P -17.2228; 8.5908; 8.6321
68.449; 65.454; 78.43
452.42Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
7063166 CIFC8 H15 N3 OP 1 21 14.9628; 12.4177; 7.5022
90; 100.98; 90
453.871Podjed, Nina; Košmrlj, Janez; Modec, Barbara
Piperidine and piperazine analogs in action: zinc(ii)-mediated formation of amidines
New Journal of Chemistry, 2024, 48, 8844-8859
1570437 CIFC2 H6 OP -14.2888; 8.3045; 12.7912
90.249; 93.92; 90.14
454.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248553 CIFC20 H13 N5 O4P 16.5102; 7.1433; 9.9181
95.079; 90.432; 97.825
455.06Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo
Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering
CrystEngComm, 2024, 26, 2976-2988
7063253 CIFAg0.43 Ba Cu1.57 Se2P n m a9.7849; 4.2614; 10.9321
90; 90; 90
455.84Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7714749 CIFBr Ce Mo O4P 1 c 19.7775; 5.8209; 8.0322
90; 90.0106; 90
457.143Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
7248291 CIFC23 H11 Br N4P -17.455; 7.934; 8.27
85.443; 76.787; 74.123
458Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
2023068 CIFC9 H9 Na O5P -16.3289; 6.8126; 11.253
75.05; 86.39; 78.09
458.65Bieler, Irén; Wagner, Christoph; Merzweiler, Kurt
Lithium and sodium 3-(3,4-di-hydroxy-phen-yl)propenoate hydrate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 401-407
1571313 CIFAs B F H4 N O4C 1 c 14.4453; 8.1098; 12.7463
90; 90; 90
459.51Bai, Zhiyong; Lee, Jihyun; Hu, Chun-Li; Zou, Guohong; Ok, Kang Min
Hydrogen bonding bolstered head-to-tail ligation of functional chromophores in a 0D SbF<sub>3</sub>·glycine adduct for a short-wave ultraviolet nonlinear optical material.
Chemical science, 2024, 15, 6572-6576
7249709 CIFC13 H26 N8 O6P 15.8709; 7.714; 11.1553
72.564; 81.718; 72.804
459.59Li, Qi; Xie, Yifei; Wang, Zhipeng; Li, Shuang; Yang, Shiying; Yang, Dezhi; Zhang, Li; Du, Guanhua; Lu, Yang
Optimization of physicochemical properties of theophylline by forming cocrystals with amino acids
RSC Advances, 2024, 14, 40006-40017
7063254 CIFAg0.51 Ba Cu1.49 Se2P n m a9.823; 4.2715; 10.975
90; 90; 90
460.5Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
1571114 CIFAl F5 H14 Ni O7P -16.4022; 8.5874; 8.7691
104.255; 96.638; 94.816
460.96Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7159925 CIFC9 H12 O4P 15.5136; 7.5778; 11.5822
78.459; 82.801; 77.467
461.13Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus <i>Chaetomium globosum</i> SD-347.
Organic & biomolecular chemistry, 2024, 22, 3979-3985
7714907 CIFC13 H22 Au K N4 O7P -13.803; 10.937; 11.4861
79.722; 82.574; 81.366
462.17Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
2312525 CIF
HKL
Paper
C16 H24 N4 O6P -16.8383; 7.2272; 9.7427
82.921; 76.809; 82.043
462.18Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas
Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 302-310
7133408 CIFC10 H7 F3 O2P 1 21 18.51; 4.956; 11.481
90; 106.91; 90
463.3Kazi, Ayazoddin Aunoddin; Manjuladevi, Nadimpalli; Kumar, Salla Suresh; Sharma, Anamika; Singh, L. Ravithej
A quick access to CF<sub>3</sub>-containing functionalized benzofuranyl, benzothiophene and indolyl heterocycles under catalyst-free conditions.
Chemical communications (Cambridge, England), 2024, 60, 9376-9379
7063547 CIFC4 F2 O2P 41 21 25.8699; 5.8699; 13.4589
90; 90; 90
463.74Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
7159899 CIFC12 H8 N2 O2P 1 21 13.7249; 9.6327; 12.9466
90; 92.843; 90
463.96Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.
Organic & biomolecular chemistry, 2024, 22, 4077-4088
7714751 CIFBr Ce O4 WP 1 c 19.8783; 5.9223; 7.9394
90; 90.0083; 90
464.473Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
7714906 CIFC12 H22 Au K N4 O8P -13.78331; 11.0885; 11.4646
79.885; 82.696; 80.471
464.56Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
7715386 CIFC8 H6 Cd Cl2 N2C 1 2/m 115.1638; 3.8071; 8.2899
90; 103.338; 90
465.67Zhang, Ning-Ning; Zhang, Ya-Nan; Li, Li; Li, Zhen-Yu; Liu, Ya-Tong; Dong, Yunyun; Yan, Yong; Wang, Ming-Sheng
Photochromism and single-component white light emission from a metalloviologen complex based on 1,5-naphthyridine.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6547-6555
7133456 CIFC9 H8 Cl2 O2P 1 21 18.7032; 4.8645; 11.7272
90; 110.291; 90
465.68He, Bin; Chen, Gen-Qiang; Zhang, Xumu
Highly efficient synthesis of enantioenriched vicinal halohydrins <i>via</i> Ir-catalyzed asymmetric hydrogenation using dynamic kinetic resolution.
Chemical communications (Cambridge, England), 2024, 60, 9785-9788
1570595 CIFAl22.43 Ru6.88 Si1.79P m -37.755; 7.755; 7.755
90; 90; 90
466.386Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru
Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin
Materials Transactions, 2024, 65, 18-26
1570436 CIFC2 H6 OP -14.3394; 8.414; 12.821
90.55; 93.89; 90.83
467Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7714856 CIFC10 H7 Cu N2 SP 1 21 15.8691; 7.3775; 11.0578
90; 102.454; 90
467.53Nishiyama, Tomoki; Kitoh-Nishioka, Hirotaka; Tanaka, Senku; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Yoshida, Masaki; Kato, Masako; Okubo, Takashi
A copper(I) thiocyanate-based photoresponsive semiconducting 2D coordination polymer.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1445-1448
7063251 CIFAg0.79 Ba Cu1.21 Se2P n m a9.9039; 4.2836; 11.0348
90; 90; 90
468.14Swati,; Yadav, Sweta; Shahid, Omair; Prakash, Jai
Syntheses of a series of BaCu2−xAgxSe2 (x = 0 – 1.0) selenides and evaluation of their thermoelectric properties
New Journal of Chemistry, 2024, 48, 11129-11139
7248632 CIFC3 H2 N2 O2 SP -13.68025; 9.5291; 13.5746
83.751; 87.678; 81.873
468.32Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
1571113 CIFAl Co F5 H14 O7P -16.4434; 8.6691; 8.8031
104.019; 96.749; 95.254
470.08Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7248934 CIFC7 H9 N7P -13.9161; 9.7152; 12.5718
84.813; 86.135; 83.993
472.92Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
2312522 CIF
Paper
C3 H2 F6 O6 S2P 1 21 18.9822; 4.9413; 10.94
90; 102.406; 90
474.22Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander
Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 278-283
7159900 CIFC12 H8 N2 O2P 1 21 13.7817; 9.718; 12.9407
90; 92.15; 90
475.24Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto-enol tautomerization.
Organic & biomolecular chemistry, 2024, 22, 4077-4088
1571112 CIFAl F5 Fe H14 O7P -16.4864; 8.719; 8.7917
103.834; 96.364; 95.4
476.05Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Crystals, 2024, 14, 197
7249000 CIFC10 H4 F4 N4P 1 21/c 15.0686; 5.1891; 18.59
90; 90.109; 90
488.94Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
1570836 CIFC6 H11 Cd Cl2 N3P 1 21/m 17.1135; 7.7569; 8.8801
90; 91.575; 90
489.81Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
Chemical science, 2024, 15, 3625-3632
7160212 CIFC8 H8 N4 S2P 1 21/n 110.3127; 5.0803; 10.6479
90; 118.281; 90
491.27Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
1571153 CIFC10 H6 Cl2 N2P 1 21/n 18.833; 4.114; 14.134
90; 106.095; 90
493.5Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
7062908 CIFC5 H7 N7 O6P 1 21/m 19.2737; 6.2094; 9.4529
90; 114.864; 90
493.88Shi, Haichuan; Wang, Yuqing; Wang, Xinyu; Zhang, Xiaotian; Huang, Ming; Yang, Haijun; Luo, Zhenghang
Concise synthesis of a fused energetic pyrazolotriazine with good performance
New Journal of Chemistry, 2024, 48, 1212-1216
7715072 CIFC6 H26 B20 S2P -16.928; 8.0128; 10.0978
79.295; 70.057; 70.854
496.07Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.
Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4444-4450
7248795 CIFC7 H15 N3 O5P 1 21 17.8012; 5.3813; 12.1746
90; 102.724; 90
498.55Toomey, Ryan; Wang, Luther; Heider, Emily C.; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A. A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish A.; Harper, James K.
NMR-guided refinement of crystal structures using 15N chemical shift tensors
CrystEngComm, 2024, 26, 3289-3302
2023161 CIF
Paper
C7 H14 N2 O3 SP 1 21 16.2517; 5.4935; 14.5686
90; 91.147; 90
500.24Babu, Sainath; Fronczek, Frank R.; Uppu, Rao M.; Claville, Michelle O.
Crystal structures of the isomeric dipeptides l-glycyl-l-me-thio-nine and l-me-thionyl-l-glycine.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 725-728
2312566 CIF
Paper
C16 H19 I3 N2 O2P -17.3766; 8.8131; 9.3226
113.612; 103.144; 104.263
500.61Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312415 CIF
Paper
C13 H11 N OP -15.7855; 7.3347; 12.424
106.519; 91.912; 92.326
504.5Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G
Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 191-195
7248591 CIFC10 H12 N2 O4P 1 21/n 16.6549; 12.8056; 6.6575
90; 116.973; 90
505.64Mele, Francesco; Constantin, Ana Maria; Sacchelli, Filippo; Schiroli, Debora; Mazzeo, Paolo Pio; Maestri, Giovanni; Motti, Elena; Maggi, Raimondo; Mancuso, Raffaella; Gabriele, Bartolo; Pancrazzi, Francesco; Della Ca’, Nicola
Sequential Glaser reaction – diastereoselective cyclocarboxylation of propargylamines with CO2: a green catalytic access to bis-oxazolidinonedienes and their topochemical polymerization
Green Chemistry, 2024, 26, 6429-6435
7715562 CIFC12 H32 Cr N4 P4P -17.4075; 8.633; 8.9332
104.558; 105.008; 103.613
505.73Beasley, Charles H.; Duletski, Olivia L.; Stankevich, Ksenia S.; Arulsamy, Navamoney; Mock, Michael T.
Catalytic dinitrogen reduction to hydrazine and ammonia using Cr(N<sub>2</sub>)<sub>2</sub>(diphosphine)<sub>2</sub> complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6496-6500
2023286 CIF
Paper
C2 H7 N5 OP 1 21/c 13.8056; 9.49424; 14.01599
90; 92.9639; 90
505.738Inoue, Kazuki; Nakami, Shun; Kumasaki, Mieko; Matsumoto, Shinya
Synthesis and crystal structure of 1H-1,2,4-triazole-3,5-diamine monohydrate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1161-1164
7063529 CIFC10 H8 N4 O2P -15.9685; 9.2906; 9.6913
101.346; 99.374; 99.632
508.69Golubev, Artem A.; Simdianov, Ivan V.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.
2-Azidoazirines suitable for click chemistry: synthesis of 1-(2H-azirin-2-yl)-1H-1,2,3-triazoles
New Journal of Chemistry, 2024, 48, 19957-19962
7132761 CIFC6 H10 Er N O8P 1 2/a 19.0471; 8.792; 6.4339
90; 96.131; 90
508.8Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
1571673 CIF
Paper
C14 H22 Cl2 Cu N6 O6P -14.6536; 8.2542; 13.682
78.092; 82.801; 85.469
509.42Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain
trans-Dichloridobis(secnidazole-κN 3)copper(II)
IUCrData, 2024, 9
2023199 CIF
Paper
C21 H12 Br4 O4P -13.8875; 9.3118; 14.7772
104.228; 93.211; 98.219
510.87Weeks, Nathan J.; Lauer, Moira K.; Balaich, Gary J.; Iacono, Scott T.
Crystal and molecular structure of 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7248781 CIFC2 H4 N6 OP m n a12.1399; 3.6287; 11.6102
90; 90; 90
511.45Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.
Insight into the structural and energetic features of substituted triazolofurazans
CrystEngComm, 2024, 26, 3349-3362
7133355 CIFC14 H8 B ClP 1 21 18.5508; 3.8729; 15.8451
90; 102.727; 90
511.84Zacharias, Harie; Begum, Ayesha; Han, Jianhua; Bartholome, Tyler A.; Marder, Todd B.; Martin, Caleb D.
Synthesis of phenanthrylboroles and formal nitrene insertion to access azaborapyrenes.
Chemical communications (Cambridge, England), 2024, 60, 8740-8743
1571420 CIFC5 H9 F3 Li N O3 SP -15.544; 9.2231; 10.2431
80.255; 83.499; 86.548
512.43Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7716187 CIFC14 H7 Br O2P 1 21 17.7673; 3.9545; 16.7397
90; 94.654; 90
512.48Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko
Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10099-10112
2023184 CIF
Paper
C7 H6 Cl N3 O4 S2P 1 21 14.8296; 6.2703; 16.9551
90; 92.214; 90
513.069Brydson, Rowan K. H.; Kennedy, Alan R.
A monoclinic polymorph of chloro-thia-zide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 806-810
7248975 CIFC8 H10 N3 Ni O2P -16.3253; 9.2032; 10.202
64.48; 74.18; 78.74
513.6Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.
Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers
CrystEngComm, 2024, 26, 4195-4204
7717496 CIFC2 N2 Pb S2C 1 2/c 19.6128; 6.5306; 8.1913
90; 92.734; 90
513.64Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
7062972 CIFF3 K2 Nb O2P n a 217.6269; 11.8526; 5.70105
90; 90; 90
515.37Belokoneva, Elena L.; Stefanovich, Sergey Yu.; Volkov, Anatoly S.; Dimitrova, Olga V.; Mozgova, Alexandra
New nonlinear optical oxyfluoride K2NbO2F3 with strong pseudo-centrosymmetry, obtained by mild hydrothermal synthesis
New Journal of Chemistry, 2024, 48, 2569-2575
7249002 CIFC22 H9 B F8 N4 O2P -16.2144; 7.2948; 11.7785
81.392; 77.89; 85.14
515.4Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7248976 CIFC18 H16 Cu N6 Ni O3P -15.9234; 9.5597; 10.2625
114.847; 96.831; 95.811
516.16Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.
Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers
CrystEngComm, 2024, 26, 4195-4204
7132758 CIFC6 H10 Er N O8P 1 2/a 19.0759; 8.863; 6.4822
90; 96.228; 90
518.3Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7063384 CIFC10 H5 Eu O9P -16.327; 9.2759; 9.4488
88.275; 73.972; 76.714
518.39Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz
A 3D photoluminescent Eu(iii)-MOF sensor supported by a tetracarboxylate ligand for the sensitive and selective detection of Cd2+ and o-nitrophenol
New Journal of Chemistry, 2024, 48, 15136-15148
7717200 CIFC6 H6 N8 O6P 1 21 18.4322; 6.1733; 10.2585
90; 103.42; 90
519.42Pandey, Krishna; Das, Priyanka; Khatri, Meera; Kumar, Dheeraj
<i>N</i>-Methylene-C-linked nitropyrazoles and 1,2,4-triazol-3-one: thermally stable energetic materials with reduced sensitivity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17179-17189
2023024 CIF
HKL
Paper
C6 H14 Br2 Cd N2 OP -17.1291; 7.1662; 11.0151
77.704; 80.079; 72.371
520.49Chidambaranathan, B.; Sivaraj, S.; Vijayamathubalan, P.; Abraham Rajasekar, S.; Selvakumar, S.
[4-(2-Aminoethyl)morpholine-κ<sup>2</sup><i>N</i>,<i>N</i>']di-bromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 271-276
1570452 CIFC6 H14 OP 1 21/c 19.099; 3.9465; 14.649
90; 98.32; 90
520.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7132759 CIFC6 H10 Er N O8P 1 2/a 19.0907; 8.903; 6.5091
90; 96.38; 90
523.5Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7248931 CIFC H5 N7C 1 2/c 14.9752; 15.7038; 7.0385
90; 107.756; 90
523.72Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7248758 CIFC12 H24 Cl6 N4 O2 PdP -17.7207; 7.7941; 9.5977
81.799; 83.134; 66.739
523.91Bougossa, Sarra; Mhadhbi, Noureddine; Ben Ahmed, Ali; Hamdi, Mohamed; Elghniji, Kais; Erwann, Jeanneau; Hamden, Khaled; Oueslati, Abderrazek; Naïli, Houcine
Design of a new palladium(ii) halide complex as a bio-active material: synthesis, physico-chemical studies, DFT-computations and evaluation of anti-inflammatory, antioxidant and anti-gastric damage activities
RSC Advances, 2024, 14, 17413-17433
1570838 CIFC6 H11 Br2 Cd N3 O0P 1 21/m 17.2184; 8.1651; 8.9205
90; 90.782; 90
525.72Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
Chemical science, 2024, 15, 3625-3632
1572820 CIFN O6 Sb TeP c a 217.6159; 8.6763; 7.9574
90; 90; 90
525.81Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).
Chemical science, 2024, 15, 18549-18556
7132763 CIFC6 H10 Er N O8P 1 2/a 19.1025; 8.913; 6.5273
90; 96.442; 90
526.2Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.
Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).
Chemical communications (Cambridge, England), 2024, 60, 3271-3274
7248033 CIFC4 H8 N12 O2P -16.5961; 7.3355; 11.576
97.689; 104.047; 99.886
526.2Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing
A desirable coplanar energetic pentazolate salt driven by hydrogen bonds
CrystEngComm, 2024, 26, 748-752
7132475 CIFC5 H5 N9 O6P -15.1838; 9.1275; 12.3907
107.311; 99.537; 102.736
528.83Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.
Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.
Chemical communications (Cambridge, England), 2024, 60, 827-830
7063549 CIFC2 H2 F13 O Sb2P -17.4703; 8.0314; 9.7471
94.096; 91.767; 114.341
530.28Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
New Journal of Chemistry, 2024, 48, 20140-20148
1571424 CIFC7 H9 Li N2 O3 SP -16.7137; 7.9569; 11.1702
98.12; 97.915; 113.035
531.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
7248998 CIFC10 F8 N4P 1 21/c 15.8251; 15.5339; 5.9792
90; 100.851; 90
531.36Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition
CrystEngComm, 2024, 26, 4017-4021
7132462 CIFC9 H15 F3 O3P 6311.4469; 11.4469; 4.7028
90; 90; 120
533.66Haridas, Shyamkumar V.; von Delius, Max
Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.
Chemical communications (Cambridge, England), 2024, 60, 606-609
2023077 CIF
Paper
C22 H18 N2 O12P -15.9454; 7.9543; 12.0673
72.124; 79.661; 86.052
534.25Businski, Artjom; Ta, Thuy C.; Gindullis, Niklas; Näther, Christian; Herges, Rainer
Synthesis and crystal structure of tetra-methyl (<i>E</i>)-4,4'-(ethene-1,2-di-yl)bis-(5-nitro-benzene-1,2-di-carboxyl-ate).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 435-438
7715067 CIFC17 H16 Ag3 Fe N9P -17.4219; 8.2617; 9.2067
102.679; 98.698; 98.525
534.71Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.
Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4251-4259
2023117 CIF
Paper
C12 H10 N2 O3P -18.1208; 8.2262; 9.5944
73.338; 72.167; 62.966
535.19Shi, Xin-Wei; Bai, Ming-sheng; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu
Crystal structure characterization, Hirshfeld surface analysis, and DFT calculation studies of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7714649 CIFAl B2 Ba Li O6P 1 21/c 14.9161; 8.7222; 13.228
90; 108.29; 90
538.55Su, Hongkang; Jiao, Jiahao; Wang, Shibin; An, Donghai; Zhang, Min
Rb<sub>3</sub>MgB<sub>5</sub>O<sub>10</sub> and LiBaAl(BO<sub>3</sub>)<sub>2</sub>: covalent tetrahedra MO<sub>4</sub>-containing borates with deep-ultraviolet cutoff edges.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 932-937
1571506 CIFC10 H13 F13 N4 Sb4P 17.2222; 8.1293; 10.3779
101.002; 105.247; 106.829
538.65Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang
[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.
Chemical science, 2024, 15, 8071-8079
7159852 CIFC9 H15 N O7P 1 21 15.16094; 12.6912; 8.2512
90; 92.987; 90
539.71Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P.
Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams.
Organic & biomolecular chemistry, 2024, 22, 2985-2991
7249574 CIFEu2 Ge2 O S6 ZnP -4 21 m9.3838; 9.3838; 6.1509
90; 90; 90
541.62Wang, Guili; Wu, Wentian; Li, Chunxiao; Yao, Jiyong
Rare-earth oxychalcogenide Eu2ZnGe2OS6: a phase-matching infrared nonlinear optical material with [GeOS3] units
CrystEngComm, 2024, 26, 6683-6687
1571268 CIF
Paper
C16 H24 Br2 Mn N8P -17.6288; 8.753; 9.3794
90.707; 106.138; 114.285
542.62Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan
trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)
IUCrData, 2024, 9
7717288 CIFAl3 B4 O12 TbR 3 2 :H9.2986; 9.2986; 7.2542
90; 90; 120
543.19Kuznetsov, A. B.; Jamous, A. Y.; Rakhmanova, M. I.; Simonova, E. A.; Svetlichnyi, V. A.; Kokh, A. E.; Yudin, V. N.; Solodovnikov, S. F.; Shevchenko, V. S.; Kokh, K. A.
Nonstoichiometry as a hidden aspect of TbAl<sub>3</sub>(BO<sub>3</sub>)<sub>4</sub> optical properties.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18653-18661
1570451 CIFC6 H14 OP 1 21/c 19.198; 4.0064; 14.9459
90; 99.54; 90
543.2Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7248641 CIFC10 H10 B F O2 SiP -16.9862; 7.4451; 10.5854
92.553; 97.855; 91.766
544.49Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.
Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition
RSC Advances, 2024, 14, 16069-16082
7248191 CIFC11 H12 O8P -17.1276; 7.5031; 11.3065
98.614; 105.39; 105.364
546.17Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan
Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns
CrystEngComm, 2024, 26, 1952-1961
1570470 CIFC5 H6 O4P 1 21/n 19.5342; 6.5619; 9.7191
90; 115.851; 90
547.2Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen
High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one
Polymer Chemistry, 2024, 15, 156-165
2312385 CIF
HKL
Paper
C10 H13 N5 O3P 15.2027; 8.9738; 12.3715
78.249; 83.171; 76.338
547.97Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank
α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 21-29
7063201 CIFC28 H20 N4 O2P -16.4328; 9.342; 9.841
105.347; 105.02; 91.233
548.2Baskar, Shyamvarnan; Kole, Goutam Kumar
3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties
New Journal of Chemistry, 2024, 48, 10213-10225
7249100 CIFC18 H24 F6 N6 O4P -15.7104; 9.502; 10.2481
88.963; 87.032; 81.176
548.72Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij
Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers
CrystEngComm, 2024, 26, 4602-4616
1571099 CIFC5.7 Co0.95 Cs0.857 Cu N5.7I -4 m 27.1046; 7.1046; 10.8768
90; 90; 90
549.01Boström, Hanna L B; Cairns, Andrew B.; Chen, Muzi; Daisenberger, Dominik; Ridley, Christopher J.; Funnell, Nicholas P.
The pressure response of Jahn-Teller-distorted Prussian blue analogues.
Chemical science, 2024, 15, 3155-3164
7159784 CIFC12 H9 N3 O2P -17.0783; 7.7116; 10.234
84.195; 86.746; 82.03
549.87Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.
Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates
Organic & Biomolecular Chemistry, 2024, 22, 1727-1732
2023244 CIF
Paper
C7 H16 N2 O6P 4 b m11.2716; 11.2716; 4.331
90; 90; 90
550.249Seidel, Rüdiger W.; Kolev, Tsonko M.
Crystal structure of propane-1,3-diaminium squarate dihydrate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 973-975
7159761 CIFC14 H9 Cl N2P 1 21 19.5508; 4.7677; 12.4996
90; 103.508; 90
553.43Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines
Organic & Biomolecular Chemistry, 2024, 22, 1167-1171
7160146 CIFC6 H6.67 F2 N2 O2.67P -16.2237; 8.6358; 10.4449
90.67; 96.664; 95.213
555.14Paramonova, Polina; Lebedev, Rodion; Sokolov, Alexander; Dar'in, Dmitry; Kanov, Evgeny; Murtazina, Ramilya; Gainetdinov, Raul; Kalinin, Stanislav; Bakulina, Olga
Azide-based <i>in situ</i> preparation of fused heterocyclic imines and their multicomponent reactions.
Organic & biomolecular chemistry, 2024, 22, 8328-8336
1572026 CIF
Paper
C6 H6 O4P -13.7474; 11.6254; 13.7771
68.407; 85.779; 89.843
556.37Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.
Benzene-1,2,4,5-tetrol
IUCrData, 2024, 9
2312726 CIF
HKL
Paper
Ni3 O8 V2C m c e5.93384; 11.38318; 8.23818
90; 90; 90
556.456Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312727 CIF
HKL
Ni3 O8 V2C m c e5.9324; 11.38492; 8.23893
90; 90; 90
556.457Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
7248006 CIFC10 F6 I2P 1 21/c 110.2667; 6.0444; 8.9912
90; 94.075; 90
556.55Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie
Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction
CrystEngComm, 2024, 26, 764-772
7248214 CIFC2 H12 Cl3 Fe N2 O6P 1 21/m 19.0027; 7.527; 9.0306
90; 114.109; 90
558.56Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana
Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity
CrystEngComm, 2024, 26, 1892-1901
7063492 CIFC9 H10 Cu N2 O7P -15.1877; 9.1943; 12.1179
97.507; 92.846; 101.614
559.59López-Gastélum, Karla-Alejandra; Chávez-Urías, Iván-Fernando; López-González, Luis E.; García, Juventino J.; Flores-Alamo, Marcos; Morales-Morales, David; Galindo, Jordi R.; Sugich-Miranda, Rocío; Medrano Valenzuela, Felipe; Velázquez-Contreras, Enrique F.; Rocha-Alonzo, Fernando
Synthesis, structural analysis, DFT study, and catalytic performance of a glycine-Schiff base binuclear copper(ii) complex
New Journal of Chemistry, 2024, 48, 18569-18579
7248546 CIFC24 H20 N6 Ni O8P -17.6921; 7.8232; 10.9612
108.519; 90.398; 114.647
560.99Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers
CrystEngComm, 2024, 26, 2755-2764
7716963 CIFC4 H18 Li O7 PP -16.2774; 6.5742; 15.5423
79.599; 88.942; 63.141
561.36Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy
Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14399-14410
7717498 CIFC2 N2 Pb Se2P n m a12.479; 4.2277; 10.6523
90; 90; 90
561.99Shlyaykher, Alena; Živković, Aleksandar; Günther, Hennes; Barba, Anna Lea; de Leeuw, Nora H.; Tambornino, Frank
Synthesis, XRD and DFT studies on Pb[ChCN]<sub>2</sub> (Ch = O, S, Se) and Pb[SeCN][OH].
Dalton transactions (Cambridge, England : 2003), 2024, 54, 74-88
2023220 CIF
Paper
C7 H9 Au Br3 NP -18.2506; 8.4726; 9.421
113.828; 103.543; 98.368
563.93Döring, Cindy; Jones, Peter G.
Crystal structures of seven gold(III) complexes of the form LAuX 3 (L = substituted pyridine, X = Cl or Br)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 894-909
1570450 CIFC6 H14 OP 1 21/c 19.293; 4.0686; 15.1855
90; 100.35; 90
564.8Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
1572540 CIF
Paper
C9 H8 Co N8P -17.3526; 8.3354; 10.4053
97.221; 102.413; 111.334
565.36Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak
catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]
IUCrData, 2024, 9
7249015 CIFC20 H10 F4 I2 N2 O2 S2P -15.8434; 9.8958; 10.8439
68.788; 84.873; 75.319
565.48Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7248545 CIFC24 H20 Co N6 O8P -17.6976; 7.8986; 10.982
108.974; 90.541; 114.662
565.59Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers
CrystEngComm, 2024, 26, 2755-2764
7132445 CIFC15 H12 O2P 1 21 18.0868; 6.9699; 10.0387
90; 90.595; 90
565.79Zhang, Xu; Wang, Di; Chang, Mengfan; Xu, Xuefeng; Li, Wenguang; Wang, Wanya
Pd(II)-Catalyzed tandem selective dehydrogenative [4+2] annulation of 2-methyl-1,3-cycloalkanediones with olefins.
Chemical communications (Cambridge, England), 2024, 60, 594-597
7248197 CIFC12 H7 I2 NP 1 21 14.176; 11.111; 12.236
90; 93.14; 90
566.9Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state
CrystEngComm, 2024, 26, 1773-1778
7248643 CIFC10 H10 B Cl O2 SiP -16.9876; 7.7137; 10.6833
85.701; 81.858; 89.401
568.42Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.
Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition
RSC Advances, 2024, 14, 16069-16082
7132791 CIFC10 H19 N O3P 1 21 15.4153; 11.2753; 9.4479
90; 98.633; 90
570.34Zhang, Qiuxin; Zhang, Heng; Geng, Senbai; Zhao, Xian; Liu, Shucheng; Hong, Kun; Pan, Jianming; Yan, Xingchen
Green transformation of CO<sub>2</sub> into γ-amino alcohols with continuous stereocenters.
Chemical communications (Cambridge, England), 2024, 60, 2062-2065
7159762 CIFC14 H9 Br N2P 1 21 19.6512; 4.9125; 12.4349
90; 104.633; 90
570.43Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines
Organic & Biomolecular Chemistry, 2024, 22, 1167-1171
7249152 CIFC8 H13 B F4 N2 O2P -18.1082; 8.1979; 9.6164
79.2; 88.373; 66.083
573.16Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity
RSC Medicinal Chemistry, 2024
1572716 CIFC16 H24 N4 Na2 O12 PdP -18.2595; 9.1546; 9.1795
64.956; 67.171; 87.677
573.17Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A homoleptic Ag<sup>III</sup> complex stabilized by succinimidate ligands.
Chemical science, 2024, 15, 18067-18075
1570792 CIFLu Na O6 Se2P n a 2112.718; 8.3994; 5.375
90; 90; 90
574.18Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.
Materials horizons, 2024, 11, 1704-1709
7716188 CIFC14 H7 Br O2 SeP -17.163; 7.945; 11.682
72.824; 86.44; 65.249
575.4Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko
Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10099-10112
7159722 CIFC9 H15 N3 O7P 1 21 15.1341; 8.4181; 13.3376
90; 93.235; 90
575.52Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.
Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.
Organic & biomolecular chemistry, 2024, 22, 735-740
1573183 CIFC13.9 H13.69 Al4 Br6.1P -18.1909; 8.1869; 9.8777
109.179; 102.057; 104.104
575.78Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
2312728 CIF
HKL
Ni3 O8 V2C m c e6.02077; 11.48838; 8.32611
90; 90; 90
575.908Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
7717390 CIFC12 H6 O2 S4P 1 21/m 13.9743; 24.267; 5.9919
90; 90.252; 90
577.88Youssef, Khalil; Vacher, Antoine; Khrueawatthanawet, Thanaphon; Roisnel, Thierry; Barrière, Frédéric; Lorcy, Dominique
Electrostatic <i>vs.</i> electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19388-19402
1573187 CIFC12 H8 Al4 Br8P -18.071; 8.2992; 9.8658
108.901; 101.51; 103.983
578.24Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
7248135 CIFC7 H7 N7 Pb S2P -16.9411; 8.1607; 10.8395
97.201; 93.084; 107.496
578.25Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.
On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives
CrystEngComm, 2024, 26, 1637-1646
1573043 CIFC28 H36 N4P -19.0906; 9.1054; 9.2735
62.149; 61.589; 65.472
578.3Sun, Yuhua; Kitahara, Riku; Ichino, Tomoya; Ide, Yuki; Senboku, Hisanori; Shimizu, Soji; Tanaka, Takayuki; Inokuma, Yasuhide
Cyclo[4]pyrrole with <i>α</i>-<i>β</i> direct linkages.
Chemical science, 2024, 15, 19571-19576
7133706 CIFC2 H2 Eu O6C m m m7.9438; 15.1693; 4.8115
90; 90; 90
579.79Huang, Wenhao; Chen, Zhonghang; Cheng, Peng; Shi, Wei
Strong size sieving effect in a rigid oxalate-based metal-organic framework for selective lithium extraction.
Chemical communications (Cambridge, England), 2024, 60, 11972-11975
2023036 CIF
HKL
Paper
C14 H8 N4 O2P -17.166; 7.686; 12.172
95.473; 105.226; 113.116
579.9Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V.
Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3<i>H</i>-indole 1-oxide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 310-313
7248752 CIFC7 H16 Cd Cl3 NP -16.6055; 7.4668; 12.196
103.927; 90.111; 95.743
580.71Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao
Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission
CrystEngComm, 2024, 26, 3325-3330
7716008 CIFC20 H16 Au2 Fe N8 O2P -17.2983; 7.7651; 10.7931
80.236; 76.919; 79.867
581.11Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi
Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9248-9251
1571417 CIFC12 H7 Br3P -17.4022; 7.8572; 11.338
83.992; 76.446; 65.073
581.33Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
7715068 CIFC17 H16 Ag3 Fe N9P -17.5786; 8.5161; 9.63
104.052; 101.17; 97.383
581.4Sirenko, Valerii Y.; Kucheriv, Olesia I.; Shova, Sergiu; Shylin, Sergii I.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang; Gural'skiy, Il'ya A.
Nature of cyanoargentate bridges defining spin crossover in new 2D Hofmann clathrate analogues.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4251-4259
7133362 CIFC16 H10 O2 SP -17.6112; 8.5345; 9.9571
111.229; 102.154; 93.29
583.02Reid, Amelia G.; Zelenke, Ethan A.; Moberg, Megan E.; Dickie, Diane A.; Machan, Charles W.
Improving co-electrocatalytic carbon dioxide reduction by optimizing the relative potentials of the redox mediator and catalyst.
Chemical communications (Cambridge, England), 2024, 60, 8208-8211
7247955 CIFC8 H15 N3 O4P 15.024; 8.6623; 14.2346
96.682; 95.901; 106.738
583.12Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke
Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine
CrystEngComm, 2024, 26, 943-950
2023173 CIF
Paper
C2 H7 Br2 NP 1 21/c 17.8966; 8.3394; 9.0089
90; 100.546; 90
583.24Semenikhin, Oleksandr A.; Shova, Sergiu; Golenya, Irina A.; Naumova, Dina D.; Gural'skiy, Il'ya A.
Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 738-741
7134015 CIFCd Cu3 O8 Te2R -3 m :H6.4227; 6.4227; 16.34
90; 90; 120
583.7Wang, Guozhao; Xiang, Wenya; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Two new tellurite compounds ACu<sub>3</sub>Te<sub>2</sub>O<sub>8</sub> (A = Ca, Cd) with ferromagnetic spin-1/2 kagomé layers.
Chemical communications (Cambridge, England), 2024, 61, 165-168
1571505 CIFC6 H7 F7 N2 O Sb2P -17.3227; 7.4727; 11.1037
75.512; 83.357; 85.846
583.73Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang
[(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect.
Chemical science, 2024, 15, 8071-8079
7248127 CIFC13 H13 Cl N2 OP -17.788; 8.7699; 9.7291
111.057; 96.558; 104.436
585.08Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
7248128 CIFC13 H13 Cl N2 OP -17.788; 8.7699; 9.7291
111.057; 96.558; 104.436
585.08Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof
Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography
RSC Advances, 2024, 14, 5340-5350
1570449 CIFC6 H14 OP 1 21/c 19.368; 4.1229; 15.434
90; 100.84; 90
585.5Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7133705 CIFC4 Eu2 Li4 O12C m m m7.9539; 15.2398; 4.8359
90; 90; 90
586.19Huang, Wenhao; Chen, Zhonghang; Cheng, Peng; Shi, Wei
Strong size sieving effect in a rigid oxalate-based metal-organic framework for selective lithium extraction.
Chemical communications (Cambridge, England), 2024, 60, 11972-11975
7248685 CIFCa3.78 F0.87 K1.13 O24 P6 Pb5.09P 63/m9.719; 9.719; 7.17
90; 90; 120
586.53Hamza, Mariam; Hamdi, Besma; Ben Ahmed, Ali; Capitelli, Francesco; El Feki, Hafed
Synthesis of a new potassium-substituted lead fluorapatite and its structural characterization
RSC Advances, 2024, 14, 16876-16885
2312367 CIF
HKL
Paper
C24 H22 N4 O6 UP -18.006; 8.786; 8.833
78.274; 84.648; 74.814
586.6Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.
Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248670 CIFC12 H16 O6P 1 21/c 17.1937; 9.3874; 8.8093
90; 98.709; 90
588.03Lebedeva, Daria; Schick, Lars William; Cracco, Daniel; Sangsuwan, Withsakorn; Castiella-Ona, Gonzalo; Silva, Dagoberto O.; Marson, Alessandro; Svensson Grape, Erik; Inge, A. Ken; Rossi, Liane M.; Subbotina, Elena; Manzardo, Alessandro; Samec, Joseph S. M.
Sustainable aviation fuel from prehydrolysis liquors
Green Chemistry, 2024, 26, 7258-7267
1571415 CIFC12 H7 Br Cl IP -17.5445; 7.7965; 11.5759
81.165; 73.519; 64.541
589.13Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
1572908 CIFC5 H6 Cl N OP 21 21 217.2301; 7.416; 11.002
90; 90; 90
589.9Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
1571189 CIFC10 H18 P2P 1 21 16.148; 11.2791; 8.6416
90; 98.935; 90
591.97Hierlmeier, Gabriele; Kutta, Roger Jan; Coburger, Peter; Stammler, Hans-Georg; Schwabedissen, Jan; Mitzel, Norbert W.; Dimitrova, Maria; Berger, Raphael J. F.; Nuernberger, Patrick; Wolf, Robert
Structure and photochemistry of di-<i>tert</i>-butyldiphosphatetrahedrane.
Chemical science, 2024, 15, 5596-5603
7247870 CIFC9 H16 Cl N O4P 1 21 19.224; 5.0773; 13.2741
90; 107.467; 90
593De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.
Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks
CrystEngComm, 2024, 26, 604-619
7160325 CIFC13 H13 N O5P -15.643; 8.2097; 13.1949
83.666; 84.029; 78.499
593.24Caletková, Oľga; Pinčeková, Lucia; Nováčiková, Jana; Gyepes, Róbert; Olejníková, Petra; Pôbiš, Peter; Kanďárová, Helena; Berkeš, Dušan
A novel 1-benzoazepine-derived Michael acceptor and its hetero-adducts active against MRSA.
Organic & biomolecular chemistry, 2024, 22, 9394-9402
7248661 CIFC11 H8 Ag F5 O3P -15.5278; 8.6031; 13.1699
103.225; 94.823; 100.843
593.499Ward, Jas S.
The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent
CrystEngComm, 2024, 26, 3088-3097
2312576 CIF
HKL
Paper
C20 H20 Cl4 I2 N4P -18.168; 9.129; 9.8118
103.727; 107.165; 112.18
594.91Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7063483 CIFC2 H5 N5 O4P n m a6.2901; 7.7; 12.2839
90; 90; 90
594.96Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
7716006 CIFC20 H16 Au2 Fe N8 O2P -17.3203; 7.8613; 10.8262
81.6096; 77.6448; 79.8104
595.19Kitase, Kosuke; Akahoshi, Daisuke; Kitazawa, Takafumi
Soma-Iwamoto-type SCO complex Fe(quinazoline)<sub>2</sub>[Au(CN)<sub>2</sub>]<sub>2</sub> using the quinazoline-type ligand.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9248-9251
7248984 CIFC12 H11 N3 O4P -16.2902; 7.3546; 12.9978
85.35; 88.976; 83.526
595.48Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.
2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.
RSC Medicinal Chemistry, 2024
7159895 CIFC8 H10 K N5 O5P -18.1404; 8.4811; 9.2843
86.9918; 85.9992; 68.7003
595.49Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.
Organic & biomolecular chemistry, 2024, 22, 3668-3683
7159720 CIFC13 H16 O SiP 1 21/m 18.6562; 7.0369; 9.8957
90; 97.796; 90
597.2Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian
Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.
Organic & biomolecular chemistry, 2024, 22, 466-471
7716044 CIFC14 H10 Br2P 1 21/c 19.7654; 3.9608; 15.486
90; 93.132; 90
598.09Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François
Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of "photoswitchable" catalysts for olefin polymerization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9452-9466
7133482 CIFC13 H15 N O4P 1 21 17.5054; 10.0086; 8.5104
90; 110.518; 90
598.73Tian, Jin-Rui; Qiao, Yu-Hao; Zhuang, Qing-Bo; Fan, Rong; Li, Zhen; Zhang, Xiao-Ming; Zhang, Fu-Min; Tu, Yong-Qiang
Organo-cation catalyzed enantioselective α-hydroxylation of pyridinone-fused lactones: asymmetric synthesis of SN-38 and irinotecan.
Chemical communications (Cambridge, England), 2024, 60, 9954-9957
2023235 CIF
Paper
C20 H20 F8 N4 O2 Sn3P -17.4579; 8.4601; 9.8864
97.073; 98.474; 100.644
599.06Röwekamp-Krugley, Natalia; Reuter, Hans
[SnF(bipy)(H2O)]2[SnF6], a mixed-valent inorganic tin(II)–tin(IV) compound
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7134016 CIFCa Cu3 O8 Te2R -3 m :H6.4391; 6.4391; 16.7324
90; 90; 120
600.81Wang, Guozhao; Xiang, Wenya; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Two new tellurite compounds ACu<sub>3</sub>Te<sub>2</sub>O<sub>8</sub> (A = Ca, Cd) with ferromagnetic spin-1/2 kagomé layers.
Chemical communications (Cambridge, England), 2024, 61, 165-168
7715092 CIFF5.7 K3 O3.3 V2R -3 m :H5.7442; 5.7442; 21.0484
90; 90; 120
601.46Zimmerhofer, Fabian; Wolf, Eric; Öcal, Baris; Olthof, Selina; Reimann, Maximilian Kai; Pöttgen, Rainer; Huppertz, Hubert
K<sub>3</sub>Mo<sub>2</sub>O<sub>5.6</sub>F<sub>3.4</sub> and K<sub>3</sub>V<sub>2</sub>O<sub>3.3</sub>F<sub>5.7</sub> - exploring transition metal cation valence and anion distribution in oxyfluorides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4278-4290
1571926 CIFC14 H11 F3 O3P -17.1427; 9.1744; 9.7896
97.571; 107.127; 95.412
601.69Biswas, Soumen; Empel, Claire; Sanchez-Palestino, Luis Mario; Arman, Hadi; Koenigs, Rene M.; Doyle, Michael P.
Denitrogenative dismantling of heteroaromatics by nucleophilic substitution reactions with diazomethyl compounds.
Chemical science, 2024, 15, 11065-11071
1570448 CIFC6 H14 OP 1 21/c 19.416; 4.1817; 15.579
90; 101.23; 90
601.7Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin
Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.
IUCrJ, 2024, 11, 57-61
7160079 CIFC2.18 H2.18 N0.36 O0.91P -18.1779; 9.0116; 10.0761
113.57; 95.895; 112.019
602.44Jena, Chinmay K.; Sharma, Nagendra K.
Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.
Organic & biomolecular chemistry, 2024, 22, 6822-6832
7716429 CIFAl5 Er Pt3P n m a20.4582; 4.044; 7.2845
90; 90; 90
602.67Engel, Stefan; Gießelmann, Elias C J; Schumacher, Lars; Zhang, Yuemei; Müller, Frank; Janka, Oliver
Synthesis, magnetic and NMR spectroscopic properties of the MAl<sub>5</sub>Pt<sub>3</sub> series (M = Ca, Y, La-Nd, Sm-Er).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 12176-12188
7248877 CIFC20 H16 F4 I2 N8 O4P -14.0269; 7.451; 20.66
82.022; 88.669; 80.671
605.8Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies
Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies
CrystEngComm, 2024, 26, 3672-3686
7063223 CIFC24 H16 Cl6 N2 O2P -13.8425; 11.4827; 13.8828
94.128; 94.256; 95.001
606.63Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.
Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2+2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene
New Journal of Chemistry, 2024, 48, 10584-10587
7716186 CIFC14 H7 I O2 SeP -17.122; 8.016; 12.208
107.639; 92.822; 111.661
607Ogawa, Naoki; Suzuki, Nobuhiro; Katsura, Yoshifumi; Minoura, Mao; Nakanishi, Waro; Hayashi, Satoko
Extremely stable system of 1-haloselanyl-anthraquinones: experimental and theoretical investigations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10099-10112
1571414 CIFC12 H7 Br2 IP -17.5376; 7.932; 11.5935
82.325; 74.766; 65.24
607.1Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
7132595 CIFC24 H22 I2 N4 O4 SP 14.7109; 5.1887; 25.0379
84.32; 88.126; 87.821
608.31Cao, Jinlian; Weng, Peimin; Qi, Yuanwei; Lin, Kexin; Yan, Xiaosheng
Noncovalent interaction network of chalcogen, halogen and hydrogen bonds for supramolecular β-sheet organization.
Chemical communications (Cambridge, England), 2024, 60, 1484-1487
7248502 CIFC8 H21 O4 P SP -18.2712; 9.0723; 9.5156
91.535; 108.541; 113.825
609.29Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
CrystEngComm, 2024, 26, 2673-2682
7247948 CIFC6 H16 N12 OP 1 21/m 16.2573; 13.544; 7.2073
90; 92.963; 90
609.99Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin
Can cage-like cations function as antagonistic ions towards pentazolate anions?
CrystEngComm, 2024, 26, 977-984
7716270 CIFC24 H24 Ca2 O14P 16.527; 7.215; 13.83
74.9; 76.5; 89.9
610Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim
Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11120-11132
7063071 CIFC15 H14 N2 OP 1 21 18.1113; 6.7331; 11.6092
90; 105.805; 90
610.06Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li
Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water
New Journal of Chemistry, 2024, 48, 6103-6108
7248098 CIFC12 H18 Cl8 N4 Sb2P -17.9767; 9.0843; 9.3456
86.352; 69.069; 74.829
610.14Chaabane, I.; Rekik, W.; Ghalla, H.; Zaghrioui, M.; Lhoste, J.; Oueslati, A.
Crystal structure, optical characterization, conduction and relaxation mechanisms of a new hybrid compound (C<sub>6</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[Sb<sub>2</sub>Cl<sub>8</sub>].
RSC advances, 2024, 14, 3588-3598
7714623 CIFH2 I Mo Na O7P 1 c 110.9278; 7.7836; 7.2784
90; 99.345; 90
610.87Shui, Yi; Liang, Zhengli; Li, Zhenhua; Wan, Jiahao; Liu, Lehui; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming
NaMoO<sub>3</sub>(IO<sub>3</sub>)(H<sub>2</sub>O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1221-1229
1572326 CIFC28 H30 Br2 N4P -16.4446; 8.9992; 11.3593
99.016; 92.137; 109.139
611.91Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.
Dynamic and solid-state behaviour of bromoisotrianglimine.
Chemical science, 2024, 15, 14254-14263
2312577 CIF
HKL
Paper
C20 H20 Br4 I2 N4P -18.3361; 9.3089; 9.8204
102.484; 108.399; 113.064
612.84Bosch, Eric; Bowling, Nathan P.
Role of secondary interactions in a series of 2:1 halogen-bonded cocrystals formed between 4-(dimethylamino)pyridine and ditopic halogen-bond donors.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7063185 CIFC16 H13 N OP -17.4062; 7.8098; 10.9025
101.137; 93.235; 96.394
612.92Altia, Minakshi; Anbarasan, Pazhamalai
α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles
New Journal of Chemistry, 2024, 48, 9981-9989
7717052 CIFC2 H7 Br2 Cu NP 1 21/n 16.0905; 8.8163; 11.5467
90; 97.583; 90
614.59Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei
Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 16577-16584
7133168 CIFC7 H6 O2P 1 21/n 15.502; 5.137; 21.927
90; 97.045; 90
615.1Sun, Hainan; Li, Lili; Chen, Yahui; Kim, Yong Beom; Kim, Hyunseung; Fei, Liangshuang; Shao, Zongping; Jung, WooChul
Crystal structure optimization of copper oxides for the benzyl alcohol oxidation reaction.
Chemical communications (Cambridge, England), 2024, 60, 7224-7227
7249586 CIFC2 H4 N3 O4 ReP 1 21/m 15.1704; 12.0115; 9.95
90; 94.583; 90
615.96Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7160167 CIFC16 H12 N2 O2P -15.713; 9.479; 12.31
102.192; 96.254; 105.998
616.4Chouhan, Raju; Gogoi, Abhijit; Das, Sajal Kumar
Constructing spirooxindoles from non-oxindole precursors: a one-pot nitro-reduction/double lactamization approach to spiro[indoline-3,3'-quinoline]-2,2'-diones.
Organic & biomolecular chemistry, 2024, 22, 7601-7606
7715093 CIFF3.4 K3 Mo2 O5.6R -3 m :H5.7983; 5.7983; 21.1801
90; 90; 120
616.68Zimmerhofer, Fabian; Wolf, Eric; Öcal, Baris; Olthof, Selina; Reimann, Maximilian Kai; Pöttgen, Rainer; Huppertz, Hubert
K<sub>3</sub>Mo<sub>2</sub>O<sub>5.6</sub>F<sub>3.4</sub> and K<sub>3</sub>V<sub>2</sub>O<sub>3.3</sub>F<sub>5.7</sub> - exploring transition metal cation valence and anion distribution in oxyfluorides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4278-4290
1572102 CIFC29 H27 Br N2 O3P 17.1378; 8.1657; 11.6045
85.389; 79.331; 68.354
617.75Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo
C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.
Chemical science, 2024, 15, 12732-12738
7249110 CIFC20 H14 O2P 1 21/n 19.03; 7.104; 9.88
90; 101.4; 90
621Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna
On the importance of low-frequency modes in predicting pressure-induced phase transitions.
Physical chemistry chemical physics : PCCP, 2024, 26, 20745-20749
7715022 CIFC4 H15 Co N2 O8 S2P -19.105; 9.1429; 9.4395
63.608; 65.118; 89.965
621.5Zhao, Xing; Wang, Jiasheng; Li, Bo; Zhang, Man; Zhang, Jingping
High anhydrous proton conductivity and a smart proton transportation approach of a sulfate coordination polymer.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2471-2474
2023047 CIF
Paper
C14 H12 N2 O4P 1 21/m 18.7649; 6.8899; 10.6868
90; 104.676; 90
624.31Shi, Xin-Wei; Zheng, Shao-Jun; Lu, Qiang-Qiang; Li, Gen; Zhou, Ya-Fu
Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(6-acetyl-1-nitro-naphthalen-2-yl)acetamide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 347-350
7248215 CIFC6 H14 Cl2 Fe N O5P -17.488; 8.597; 9.896
90.603; 99.679; 95.105
625.28Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana
Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity
CrystEngComm, 2024, 26, 1892-1901
7249253 CIFC17 H14 SP -18.2038; 8.2643; 10.5638
105.06; 106.146; 103.841
625.76Qin, Shengxiang; Zhang, Yaqi; Jiang, Long; Tse, Man Kin; Chan, Albert S. C.; Qiu, Liqin
Acid-catalyzed regioselective remote heteroarylation of alkenes via CC bond migration
Green Chemistry, 2024, 26, 10299-10307
7159759 CIFC17 H12 N2P 1 21 14.3756; 10.0848; 14.3422
90; 98.393; 90
626.1Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines
Organic & Biomolecular Chemistry, 2024, 22, 1167-1171
7133464 CIFC18 H34 Al4 N2 O2P -18.359; 8.9229; 9.209
99.654; 111.823; 91.082
626.13Korona, Krzesimir; Justyniak, Iwona; Pogrebetsky, James; Lemieszka, Marta; Bernatowicz, Piotr; Pietrzykowski, Antoni; Kubas, Adam; Lewiński, Janusz
Controlled hydrolysis of AlMe<sub>3</sub> to tetramethylalumoxane and a new look at incipient adducts with water.
Chemical communications (Cambridge, England), 2024, 60, 9392-9395
7159727 CIFC13 H18 O4P 1 21 17.5355; 7.5626; 11.2958
90; 103.257; 90
626.57Fernandes, Rodney A.; Ranjan, Ravikant S.
Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
Organic & biomolecular chemistry, 2024, 22, 811-822
1570723 CIFAs2 Ca5 Fe2.38 O11 Sc1.62 Ti2.4I 4/m m m3.8964; 3.8964; 41.289
90; 90; 90
626.85Simura, R.; Yatsu, Y.; Sakai, N.; Yamane, H.; Ogino, H.
Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11
Journal of the Ceramic Society of Japan, 2024, 132, 34-37
7159893 CIFC5 H6.18 N3 O2.59P 1 21/c 13.62939; 17.4327; 10.06875
90; 99.9049; 90
627.555Gerasimova, Tatiana P.; Zagidullin, Almaz A.; Nikolaeva, Anastasiia N.; Fayzullin, Robert R.; Saitova, Aliya M.; Miluykov, Vasili A.; Grimme, Stefan; Katsyuba, Sergey A.
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight.
Organic & biomolecular chemistry, 2024, 22, 3668-3683
2312461 CIF
Paper
C12 H13 N3 O4 SP 1 21 15.8163; 6.9218; 15.6295
90; 93.354; 90
628.154Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier
Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79
7248881 CIFC12 H13 N2 O4 PP -16.98; 9.04; 10.34
83.62; 81.85; 77.85
629.2Ward, Jas S.; Kruger, Paul E.
A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands
CrystEngComm, 2024, 26, 3459-3462
7159664 CIFC14 H10 Cl O3 PP 1 21 14.5378; 10.6153; 13.1018
90; 91.716; 90
630.83Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
2300739 CIF
HKL
Paper
Ga NdC m c m12.338; 12.271; 4.1691
90; 90; 90
631.2Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
7716744 CIFC8 H10 Cl Fe N2 O4 PP 1 c 16.9354; 6.4697; 14.1938
90; 97.364; 90
631.62Brehm, Philipp C.; Schnakenburg, Gregor; Streubel, Rainer
Facile synthesis of five-membered cyclic RE<sub>2</sub>P-H iron(0) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13201-13206
7714957 CIFC14 H40 B18 Fe O2P -17.1922; 9.387; 9.7241
83.2196; 79.4482; 79.3657
631.9Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.
Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3363-3376
2300740 CIF
HKL
Paper
Ga3 Nd3C m c m12.332; 12.264; 4.1782
90; 90; 90
631.91Shtender, Vitalii; Cedervall, Johan; Ek, Gustav; Zlotea, Claudia; Andersson, Mikael S.; Manuel, Pascal; Sahlberg, Martin; Häussermann, Ulrich
Revisiting the hydrogenation behavior of NdGa and its hydride phases.
Journal of applied crystallography, 2024, 57, 248-257
7248783 CIFC2 H7 N7 O2P c a 2119.6742; 3.7044; 8.671
90; 90; 90
631.95Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.
Insight into the structural and energetic features of substituted triazolofurazans
CrystEngComm, 2024, 26, 3349-3362
2312544 CIF
Paper
C14 H12 F2 N2 O2P -13.8047; 11.0101; 15.4968
79.535; 89.223; 82.88
633.42Sánchez-Pacheco, Addi Dana; Huerta, Eduardo H.; Espinosa-Camargo, Josué Benjamín; Rodríguez-Nájera, Evelyn Valeria; Martínez-Otero, Diego; Hernández-Ortega, Simón; Valdés-Martínez, Jesús
Using cocrystals as a tool to study non-crystallizing molecules: crystal structure, Hirshfeld surface analysis and computational study of the 1:1 cocrystal of (E)-N-(3,4-difluorophenyl)-1-(pyridin-4-yl)methanimine and acetic acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7249374 CIFC9 H14 Co N2 O9P -17.4824; 8.4218; 11.4038
80.323; 73.083; 67.581
634.23Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong
Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy
CrystEngComm, 2024, 26, 5933-5940
7249059 CIFC14 H18 Br9 N2 SbP -17.4663; 9.0838; 10.3799
112.483; 95.318; 98.593
634.47Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.
Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems
CrystEngComm, 2024, 26, 4518-4524
2312700 CIF
HKL
Paper
C13 H12 F N3 O5P -16.5047; 7.171; 13.9389
81.8901; 81.0672; 86.6887
635.45Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
7132818 CIFC13 H18 Cl N OP -16.66649; 9.4285; 10.2117
93.58; 96.362; 93.083
635.47Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.
Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.
Chemical communications (Cambridge, England), 2024, 60, 3818-3821
7715293 CIFCa16.25 Cr4 F2 Li1.51 N16P n n m17.523; 7.3379; 4.9433
90; 90; 90
635.62Gloriozova, Natalia; Prots, Yurii; Krnel, Mitja; Burkhardt, Ulrich; Schmidt, Marcus; Ormeci, Alim; Jach, Franziska; Höhn, Peter; Grin, Yuri
Nitridochromate(IV) fluoride - LiCa<sub>8</sub>[CrN<sub>3</sub>]<sub>2</sub>N<sub>2</sub>F.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5827-5835
1571147 CIFC14 H17 Cl N2 OP -14.9523; 9.0139; 14.5673
100.404; 92.408; 94.706
636.36Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
7248377 CIFC9 H3 Cl3 N4 O5P 1 21 15.424; 10.6544; 11.243
90; 101.4; 90
636.9Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo
3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material
CrystEngComm, 2024, 26, 2491-2497
1571722 CIFC20 H24 Li2 N6 O12P -18.212; 8.9624; 9.932
82.101; 68.227; 70.184
638.59Li, Yang; Ok, Kang Min
Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals
Chemical Science, 2024, 15, 10193-10199
1571156 CIFC30 H32 N2 Se2P -14.7908; 9.1049; 15.3497
75.701; 89.134; 80.513
639.7Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
2312703 CIF
HKL
Paper
C22 H22 F4 N12 O6P -17.2415; 10.1036; 10.6423
111.517; 99.093; 110.41
641.36Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
7714694 CIFGa8.6 Ge3.4 Mn Sm4I m -3 m8.6283; 8.6283; 8.6283
90; 90; 90
642.36Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.
Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1506-1516
7248611 CIFC9 H15 Cl N4 O4P 1 21 18.8528; 7.5471; 9.7043
90; 97.654; 90
642.6Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang
A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution
CrystEngComm, 2024, 26, 2883-2890
7247849 CIFC14 H26 Cl8 Cu2 N4 O2P -16.3666; 9.1403; 11.6139
74.548; 88.019; 80.64
642.71Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang
Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding
CrystEngComm, 2024, 26, 381-387
7159821 CIFC14 H13 N O2 SP -15.8219; 8.6182; 13.5458
81.096; 88.255; 73.391
643.38Chakraborty, Nikita; Rajbongshi, Kamal K.; Gondaliya, Amisha; Patel, Bhisma K.
PIDA/I<sub>2</sub>-mediated photo-induced aerobic <i>N</i>-acylation of sulfoximines with methylarenes.
Organic & biomolecular chemistry, 2024, 22, 2375-2379
7248573 CIFF4 K2 Mn O3 PP 1 21/c 16.7599; 7.3998; 13.9289
90; 112.268; 90
644.79Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure
CrystEngComm, 2024, 26, 2796-2802
1571304 CIFC11 H10 N OP -18.5784; 8.7025; 9.1689
101.163; 92.706; 105.082
644.96Chen, Bolin; Zhang, Xijing; Yang, Yufen; Xu, Dongdong; Wu, Qianwei; Wang, Shibo; Bao, Shiqi; Zhang, Xuemei; Ding, Yahui; Wang, Liang; Chen, Yue
Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer.
Chemical science, 2024, 15, 6397-6401
7716360 CIFH8 N3 O14 U3P m n 2112.387; 7.441; 7.002
90; 90; 90
645.4Zhang, Yingjie; Ablott, Timothy A.; Nicholas, Maria K.; Karatchevtseva, Inna; Plášil, Jakub
Capturing ammonium nitrate in a synthetic uranium oxide hydrate phase: revealing the role of ammonium ions and anion inclusions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11112-11119
7063113 CIFC6 H11 Cl2 N3 O10P 1 21 14.9151; 10.5757; 12.47
90; 94.788; 90
645.9Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo
A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties
New Journal of Chemistry, 2024, 48, 7946-7952
1571402 CIFC15 H11 Br0.97 N O3P -17.4015; 8.5478; 11.0934
96.71; 92.275; 111.131
647.62Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
7063356 CIFC14 H16 O2 SP -17.7176; 8.7676; 10.6594
84.913; 82.334; 65.082
647.86Naveen, Ramasamy; Muthusamy, Sengodagounder
On-water synthesis of 3,6-dihydro-2H-thiopyrans: Doyle–Kirmse reaction induced by blue-LEDs and ring-closing metathesis
New Journal of Chemistry, 2024, 48, 14305-14310
7248944 CIFC H Cl0 N O S0.08P -17.3939; 7.7731; 13.16
84.179; 73.9; 63.163
648.2Huang, Cheng; Kang, Chen; Liu, Hong-Jun; Wang, Chen-Lu; Tang, Sheng; Qin, Yu-Shu; Wei, Zhenhong; Cai, Hu
N-Sulfonylation of azoles with sulfonyl hydrazides enabled by electrocatalysis
Green Chemistry, 2024, 26, 8706-8710
7160090 CIFC22 H46 F2 Si2P -15.8392; 10.0661; 11.6107
88.902; 75.577; 78.905
648.29Tu, Yuyang; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru
Ring-closing metathesis of dialkenylcycloalkanes for the synthesis of fused bicycloalkanes and tricycloalkanes.
Organic & biomolecular chemistry, 2024, 22, 6950-6954
7063112 CIFC6 H11 Cl2 N3 O10P -17.3108; 8.3745; 11.0926
82.288; 89.995; 74.587
648.34Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo
A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties
New Journal of Chemistry, 2024, 48, 7946-7952
7716056 CIFB6 Cd4 O15 Sr2P 1 21/c 110.6878; 5.2551; 11.5527
90; 92.154; 90
648.4Chen, Meihui; Wei, Wei; Zhao, Jiawei; An, Donghai; Chen, Yanna
Discovery of a new bimetallic borate with strong optical anisotropy activated by π-conjugated [B<sub>2</sub>O<sub>5</sub>] units.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8898-8904
1571372 CIFC15 H13 N O5P 16.9794; 7.6259; 12.3471
93.144; 97.362; 94.061
648.752Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar
Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.
Chemical science, 2024, 15, 3578-3587
7247966 CIFC20 H12 OP 1 21 112.929; 3.949; 13.092
90; 103.7; 90
649.4Bao, Yishu; Ma, Siyuan; Zhu, Jin; Dai, Zonghao; Zhou, Qikun; Yang, Xiuqin; Zhou, Qingfa; Yang, Fulai
TfOH-catalyzed transfer hydrogenation reaction using 1-tetralone as a novel dihydrogen source
Green Chemistry, 2024, 26, 1356-1362
7248183 CIFB4 Ba1.54 Bi O13 Sr2.46 TbP 63/m m c5.36534; 5.36534; 26.0661
90; 90; 120
649.83Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan
Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors
RSC Advances, 2024, 14, 6270-6284
1570363 CIFC10 H11 Br2 Co N3P -17.948; 8.256; 10.775
75.188; 78.772; 73.732
650.4Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram
A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions
Catalysis Science & Technology, 2024, 14, 98-109
1570472 CIFC6 H8 O4P 21 21 216.6147; 8.8811; 11.0758
90; 90; 90
650.66Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen
High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one
Polymer Chemistry, 2024, 15, 156-165
7714692 CIFGa8.6 Ge3.4 Mn Sm4I m -3 m8.6677; 8.6677; 8.6677
90; 90; 90
651.196Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.
Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1506-1516
2023276 CIF
Paper
C5 H19 Na O5 P S2P -16.7412; 8.2961; 11.8621
79.608; 89.207; 87.03
651.63Nell, Bryan P.; Tyler, David R.; Zakharov, Lev N.; Johnston, Dean H.
Synthesis and crystal structure of sodium (ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolate] octahydrate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1138-1141
7249202 CIFC20 H30 Cl4 Co N12P -17.6349; 8.9698; 11.0037
106.884; 97.904; 110.288
652.1Jabeur, Wiem; Korb, Marcus; Hamdi, Mohamed; Holub, Mariia; Princík, Dávid; Zeleňák, Vladimír; Sanchez-Coronilla, Antonio; Shalash, Marwan; Čižmár, Erik; Naïli, Houcine
Structural, optical and magnetic properties of a new metal–organic CoII-based complex
RSC Advances, 2024, 14, 25048-25061
2023065 CIF
Paper
C17 H12 N2 OP -18.4614; 9.0947; 9.536
87.739; 72.963; 69.028
653.39Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef
Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 383-387
7063295 CIFC12 H4 F4 S4P 1 21/c 14.7996; 11.34; 12.006
90; 90.465; 90
653.4Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.
Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines
New Journal of Chemistry, 2024, 48, 12807-12816
2312659 CIF
HKL
Paper
C28 H24 N4 O4 S2 Zn2P -18.3263; 9.011; 9.8712
63.454; 84.9942; 80.5169
653.41Anaya-Avila, Odalys; Muñoz-Granados, Oscar; Andrade-López, Noemí; Alvarado-Rodríguez, José G; Martínez-Otero, Diego
Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 698-706
7063407 CIFC28 H28 N6 Ni O2 S2P -17.9246; 8.2663; 10.8997
82.906; 82.315; 67.927
653.64Ahmad, Reyaz; Choudhary, Mukesh
Design and synthesis of copper(ii) and nickel(ii) complexes as potential inhibitors against SARS-CoV-2 viral RNA binding protein and Omicron RBD protein
New Journal of Chemistry, 2024, 48, 15053-15076
7132857 CIFC17 H18 OP 1 21 111.5667; 5.2499; 12.1291
90; 117.369; 90
654.08Wang, Kun; Niu, Saisai; Tang, Weijun; Xue, Dong; Xiao, Jianliang; Li, Hongfeng; Wang, Chao
Ru-catalyzed asymmetric hydrogenation of α,β-unsaturated ketones <i>via</i> a hydrogenation/isomerization cascade.
Chemical communications (Cambridge, England), 2024, 60, 4338-4341
1572422 CIFC3 H5 N5 O3 ZnC 1 c 19.4696; 9.4104; 7.9944
90; 113.333; 90
654.14Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi
N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): exceptionally strong second harmonic generation and ultra-long phosphorescence.
Chemical science, 2024, 15, 15725-15730
7249247 CIFC15 H11 F4 N O2P -14.8502; 10.1006; 14.4402
109.303; 97.3122; 95.91
654.23Janecký, Lukáš; Klepetářová, Blanka; Beier, Petr
Transformation of 5-acylated <i>N</i>-fluoroalkyl-1,2,3-triazoles to trifluoromethylated ring-fused isoquinolines, 1,3-oxazines, and 1,3-oxazin-6-ones <i>via</i> ketenimines.
RSC advances, 2024, 14, 26938-26942
7248322 CIFC11 H12 B F2 N O2 S SiP 1 m 18.7169; 7.4368; 10.3692
90; 103.038; 90
654.86Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents
RSC Medicinal Chemistry, 2024
2022996 CIF
HKL
Paper
Ba2 Mn1.71 Te5 Y0.87C 1 2/m 115.1466; 4.5782; 10.606
90; 116.956; 90
655.56Yadav, Sweta; Prakash, Jai
Synthesis and crystal structure of Ba2Y0.87(1)Mn1.71(1)Te5
Acta Crystallographica Section C Structural Chemistry, 2024, 80
7133873 CIFC17 H12 N2 O2P 1 21 15.65731; 5.62441; 20.6396
90; 93.064; 90
655.79Li, Xinyue; Fang, Yuhua; Zhao, Yuanyuan; Luo, Shenshen; Xue, Yuhui; Yong, Tingting; Wang, Bin
Employing a PhI(OAc)<sub>2</sub>-mediated domino reaction to assemble nitrogen-containing heterocyclic derivatives and assessing their anti-inflammatory activity.
Chemical communications (Cambridge, England), 2024, 60, 13352-13355
7248138 CIFBa2 Mn S3P n m a8.824; 4.3415; 17.1357
90; 90; 90
656.458Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.
Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3
CrystEngComm, 2024, 26, 1444-1452
1571665 CIFC15 H22 O3P 1 21 16.3691; 12.0175; 9.083
90; 108.989; 90
657.39Song, Yongxiang; Wang, Wengui; Yang, Jiafan; Gao, Dewei; Billingsley, John M.; Wang, Songtao; Zhu, Yiguang; Wang, Junfeng; Ju, Jianhua; Yan, Yan; Tang, Yi
β-Terrecyclene synthase constructs the quadrane backbone in terrecyclic acid biosynthesis.
Chemical science, 2024, 15, 8750-8755
7715011 CIFCl2 H2 Np O3 RbC 1 2/c 18.4988; 11.3956; 7.4459
90; 114.205; 90
657.73Rajapaksha, Harindu; Benthin, Grant C.; Markun, Emma L.; Mason, Sara E.; Forbes, Tori Z.
Synthesis, characterization, and density functional theory investigation of (CH<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[NpO<sub>2</sub>Cl<sub>3</sub>] and Rb[NpO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)] chain structures.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3397-3406
2312430 CIF
HKL
Paper
C13 H13 N3 O4P 1 21 18.2555; 6.752; 11.8096
90; 90.573; 90
658.25Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248652 CIFC11 H10 Ag F5 O3P -15.4941; 9.8998; 12.7267
82.824; 80.97; 75.189
658.31Ward, Jas S.
The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent
CrystEngComm, 2024, 26, 3088-3097
7160128 CIFC15 H14 N O3P -18.6191; 8.8839; 9.3999
81.898; 73.226; 73.495
659.38Arunkumar, Vemula; Balamurugan, Rengarajan
Brønsted acid-promoted synthesis of highly functionalized tetrahydrocarbazoles from diethyl (<i>E</i>)-5-diazo-4-oxohex-2-enedioate.
Organic & biomolecular chemistry, 2024, 22, 9214-9218
7715495 CIFC14 H20 B2 F8 Fe N18P -17.9876; 8.6965; 10.1798
90.21; 91.318; 110.791
660.86Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert
Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7163-7174
7714691 CIFGa5.1 Ge0.9 Mn0.736 Sm2F m -3 m8.7126; 8.7126; 8.7126
90; 90; 90
661.37Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.
Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1506-1516
7714693 CIFGa5.1 Ge0.9 Mn0.742 Sm2F m -3 m8.7126; 8.7126; 8.7126
90; 90; 90
661.37Kulchu, Aleksandr; Khalaniya, Roman A.; Mironov, Andrei V.; Bogach, Alexey V.; Aksenov, Sergey M.; Lyssenko, Konstantin A.; Shevelkov, Andrei V.
Interplay of two magnetic sublattices in related compounds Sm<sub>2</sub>Mn<sub>1-<i>x</i></sub>Ga<sub>6-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>x</i> = 0.1-0.3, <i>y</i> = 0.6-1.0) and Sm<sub>4</sub>MnGa<sub>12-<i>y</i></sub>Ge<sub><i>y</i></sub> (<i>y</i> = 3.0-3.5) with different ordering of empty and filled (Ga,Ge)<sub>6</sub> octahedra.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1506-1516
2023203 CIF
Paper
C7 H4 F2 N2P 1 21/n 13.7283; 10.5275; 16.9073
90; 94.604; 90
661.46Novikov, Egor M.; Guillen Campos, Jesus; Read de Alaniz, Javier; Fonari, Marina S.; Timofeeva, Tatiana V.
Synthesis, molecular and crystal structures of 4-amino-3,5-difluorobenzonitrile, ethyl 4-amino-3,5-difluorobenzoate, and diethyl 4,4′-(diazene-1,2-diyl)bis(3,5-difluorobenzoate)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1572811 CIFAg0.38 Pb0.25 Sb2.38 Te4R -3 m :H4.2887; 4.2887; 41.544
90; 90; 120
661.74Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver
Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te
Crystals, 2024, 14, 789
7249111 CIFC20 H14 O2P 1 21/n 19.16; 7.308; 10.05
90; 100.1; 90
662Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna
On the importance of low-frequency modes in predicting pressure-induced phase transitions.
Physical chemistry chemical physics : PCCP, 2024, 26, 20745-20749
1572444 CIF
Paper
C20 H20 Cl6 N2 O6 SnP -18.322; 9.2704; 9.4248
108.101; 99.515; 99.749
662.46Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine
Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate
IUCrData, 2024, 9
7248137 CIFBa2 Mn S3P n m a8.8896; 4.3363; 17.221
90; 90; 90
663.835Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.
Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3
CrystEngComm, 2024, 26, 1444-1452
7249276 CIFC14 H11 Co N5 O4P -17.6951; 8.025; 11.2161
83.335; 76.981; 81.112
664.34Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong
Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid
RSC Advances, 2024, 14, 28160-28167
7063562 CIFK O8 P2 ScP 1 21/c 15.4366; 8.4565; 14.4529
90; 90.185; 90
664.46Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.
Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction
New Journal of Chemistry, 2024, 48, 20375-20383
2023081 CIF
Paper
C5 H12 N2 O2P c a 217.1686; 4.8491; 19.1276
90; 90; 90
664.9Justen, Guilherme Augusto; Carneiro Neto, José Severiano; Sousa Santana, Francielli; Leiriane Batistel Ribas, Maria; Gomes da Silva de Paula, Felipe; Dario, Priscila Paola; Gonçalves Montes D'Oca, Marcelo
Crystal structure and Hirshfeld surface analysis of 5-hydroxypentanehydrazide
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
2312702 CIF
HKL
Paper
C11 H11 F2 N6 O3P -17.2912; 9.3029; 10.7855
110.756; 99.6967; 95.2484
665.19Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2023063 CIF
Paper
C13 H13 Cl F N O4P 1 21 17.8729; 5.5655; 15.492
90; 101.446; 90
665.31Li, Victor; Yap, Glenn P. A.; Ni, Chaoying
Crystal structure of (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 375-377
7247379 CIFC16 H18 O3P 1 21 17.97; 11.1812; 7.9888
90; 110.788; 90
665.57Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.
Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones
Green Chemistry, 2024, 26, 771-784
7249536 CIFC15 H14 N2 O SP 1 21 14.7062; 23.5001; 6.3164
90; 107.641; 90
665.72Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups
RSC Advances, 2024, 14, 35105-35113
7248364 CIFC16 H9 F3 O2 SP -16.5671; 7.2171; 14.364
85.588; 81.019; 83.178
666.5Mukhtar, Asma; Hussain, Arif; Younas, Faiza; Yousuf, Sammer; Saeed, Muhammad
Facile synthesis of substituted 2-aroylbenzo[b]thiophen-3-ols to form novel triazole hybrids using click chemistry
RSC Advances, 2024, 14, 10270-10279
1571549 CIFC13 H23 N O2P -16.2869; 9.3906; 11.5393
89.579; 78.811; 86.145
666.78Debsharma, Tapas; Purwanto, Nathan S.; Fenimore, Logan M.; Mitchell, Sarah; Kennedy, Jayme; Torkelson, John M.
BiTEMPS methacrylate dynamic covalent cross-linker providing rapid reprocessability and extrudability of covalent adaptable networks: high-yield synthesis with strong selectivity for disulfide linkages
Polymer Chemistry, 2024, 15, 2167-2176
7715858 CIFC12 H6 Cu N4 O8P 1 21/c 16.48; 10.0354; 10.689
90; 106.37; 90
666.92García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
7249727 CIFC12 H28 N4 O26 Sr2P -16.8279; 10.109; 10.3366
95.828; 107.386; 97.158
668.27Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao
Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes.
Physical chemistry chemical physics : PCCP, 2024
2023091 CIF
Paper
C12 H15 N3 O2 SP -15.77; 8.3069; 14.6243
82.891; 87.004; 74.172
669.07Madhan, Sundarasamy; NizamMohideen, Mohamed; Viswanathan, Vijayan; Karthik Ananth, Mani; Narasimhan, Srinivasan
Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)imino]ethyl}phenyl propanoate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7249115 CIFC20 H14 O2P 1 21/n 19.2009; 7.309; 10.0763
90; 98.993; 90
669.3Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna
On the importance of low-frequency modes in predicting pressure-induced phase transitions.
Physical chemistry chemical physics : PCCP, 2024, 26, 20745-20749
7248642 CIFC12 H13 B F N O2 SiP 1 21/m 18.6127; 7.0177; 11.1617
90; 97.153; 90
669.38Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.
Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition
RSC Advances, 2024, 14, 16069-16082
7248182 CIFB4 Ba4 Bi O13 TbP 63/m m c5.41865; 5.41865; 26.3535
90; 90; 120
670.12Chen, Xuean; Yuan, Xuyang; Xiao, Weiqiang; Song, Xiaoyan
Two new rare-earth oxyborates Ba4BiTbO(BO3)4 and Ba1.54Sr2.46BiTbO(BO3)4 and luminescence properties of the Ba4BiTb1−xEuxO(BO3)4 phosphors
RSC Advances, 2024, 14, 6270-6284
7715854 CIFC12 H6 Mn N4 O8P 1 21 110.4325; 5.3198; 12.7174
90; 108.111; 90
670.83García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
7063563 CIFK0.5 O4 P Sc0.5P n a m14.5271; 8.4948; 5.4375
90; 90; 90
671.01Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.
Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction
New Journal of Chemistry, 2024, 48, 20375-20383
1571697 CIFC18 H17 N O2P 1 21/m 17.5018; 10.4685; 9.002
90; 108.336; 90
671.06Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.
Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.
Chemical science, 2024, 15, 8334-8345
1570804 CIFC17 H11 N3 O3P 1 21 13.9819; 14.7672; 11.4435
90; 94.161; 90
671.12Lv, Youming; Ye, Hebo; You, Lei
Multiple control of azoquinoline based molecular photoswitches.
Chemical science, 2024, 15, 3290-3299
1572891 CIFC17 H17 YP 1 21/n 17.0169; 8.7585; 11.156
90; 101.791; 90
671.15Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.
Chemical science, 2024, 15, 19273-19282
1571148 CIFC14 H17 Cl N2 SP -15.0074; 9.0205; 15.1568
80.365; 89.851; 84.042
671.24Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang
A multicomponent reaction for modular assembly of indole-fused heterocycles
Chemical Science, 2024, 15, 5211-5217
7717253 CIFCs2 F6 Li3 Na3 O24 P6 Si Zn6P 6312.4677; 12.4677; 4.9871
90; 90; 120
671.35Liu, Mingfeng; Mi, Jin-Xiao; Zhang, Yinggan; Wang, Shuaihua; Wu, Shaofan; Huang, Ya-Xi
Approach for quality deep-ultraviolet nonlinear optical crystals <i>via</i> a substitution strategy of channel species in zeolite.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17151-17156
7062984 CIFC22 H30 Cl2 Cu N6 O10P -17.2188; 7.2384; 13.1301
96.606; 90.314; 99.721
671.52Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
New Journal of Chemistry, 2024, 48, 3829-3848
7248282 CIFC7 H8 O3P 1 21/n 14.8597; 6.8797; 20.17
90; 95.2; 90
671.57Thirumalaisamy, Anitha; Karuppannan, Srinivasan
Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments
CrystEngComm, 2024, 26, 1902-1911
7248936 CIFC2 H7 N7P n m a13.629; 6.5997; 7.4672
90; 90; 90
671.65Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7133176 CIFC5 H8 Cl F2 NP n m a10.0074; 7.0673; 9.5009
90; 90; 90
671.95Charlesworth, Natalie G.; Arunprasath, Dhanarajan; Graham, Mark A.; Argent, Stephen P.; Datsenko, Oleksandr P.; Mykhailiuk, Pavel K.; Denton, Ross M.
Modular synthesis of cyclic β-difluoroamines.
Chemical communications (Cambridge, England), 2024, 60, 7701-7704
7132651 CIFC17 H14 N3 O2P -17.1044; 10.0383; 10.7169
102.103; 109.324; 102.128
672.07Kuroda, Yusuke; Krell, Maya; Kurokawa, Kazuma; Takasu, Kiyosei
Synthesis of mesoionic triazolones <i>via</i> a formal [3+2] cycloaddition between 4-phenyl-1,2,4-triazoline-3,5-dione and alkynes.
Chemical communications (Cambridge, England), 2024, 60, 1719-1722
7132977 CIFC16 H13 N O3P -16.7066; 8.7863; 12.6844
100.298; 96.3058; 111.389
672.14Akbari, Alireza; Khosravi, Hormoz; Bauer, Felix; Rominger, Frank; Breit, Bernhard; Balalaie, Saeed
Metal- and solvent-free domino reaction of 2-isocyanophenol esters to benzoxazines: long-range 1,5-acyl migration on 1,4-diazabutatriene.
Chemical communications (Cambridge, England), 2024, 60, 5451-5454
7248327 CIFC11 H14 B F O3 S SiP -16.8604; 9.1623; 11.9467
101.758; 103.715; 105.684
672.94Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents
RSC Medicinal Chemistry, 2024
2312662 CIF
HKL
Paper
C10 H19 N5 O4P -18.2507; 8.587; 10.6398
105.438; 109.18; 94.887
673.83Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 728-733
7249415 CIFC14 H24 B NP -18.552; 9.056; 9.909
68.308; 71.722; 79.828
675.5Snyder, Madison J.; Alawaed, Abdulkhaliq A.; Li, Chunge; Pacentine, Samantha; Hamann, Henry J.; Ramachandran, P. Veeraraghavan
TiF<sub>4</sub>-mediated, one-pot, reductive amination of carboxylic acids with borane-ammonia.
RSC advances, 2024, 14, 31205-31209
7715497 CIFC14 H20 B2 F8 Fe N18P -18.0729; 8.7297; 10.3033
89.886; 91.31; 111.316
676.25Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert
Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7163-7174
7248500 CIFC8 H24 O4 P2 SP 42/n m c :17.62801; 7.62801; 11.63
90; 90; 90
676.71Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz
Synthesis and structural trends in a series of simple tetraalkylphosphonium salts
CrystEngComm, 2024, 26, 2673-2682
2023298 CIF
Paper
C2 H7 I2 NP 1 21/c 18.3073; 8.88; 9.3838
90; 102.004; 90
677.09Petrosova, Hanna R.; Naumova, Dina D.; Golenya, Irina A.; Buta, Ildiko; Gural'skiy, Il'ya A.
Crystal structure and Hirshfeld surface analysis of the salt 2-iodoethylammonium iodide – a possible side product upon synthesis of hybrid perovskites
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1226-1229
7716791 CIFC12 H18 O6 PdP -17.0247; 8.6043; 11.5706
89.994; 80.18; 79.606
677.46Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B
New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13662-13677
7248664 CIFC12 H10 Ag F5 O3P -15.51822; 9.8945; 13.0489
75.275; 85.88; 79.845
678Ward, Jas S.
The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent
CrystEngComm, 2024, 26, 3088-3097
7249552 CIFC6 H16 Cl4 N2 ZnP 1 21/m 16.46278; 14.69136; 7.1434
90; 91.2107; 90
678.093Zhang, Jie; Ma, Yu-Xin; Wu, Ming; He, Qing; Chen, Shuya; Ju, Ping; He, Yuan-Chun; Lei, Xiaowu
Zero-dimensional organic–inorganic hybrid zinc halide with stable broadband blue light emissions
CrystEngComm, 2024, 26, 6585-6590
7063381 CIFC7 H2 N10 O8P 1 21 18.5672; 8.6047; 9.679
90; 108.03; 90
678.48Vangara, Srinivas; Kommu, Nagarjuna; Sahoo, Akhila K.
Harnessing triazole–oxadiazole–trinitromethyl moieties in the synthesis of insensitive energetic material with enhanced detonation performance
New Journal of Chemistry, 2024, 48, 14860-14864
2023242 CIF
Paper
C6 H10 Ba N6 O7P m n 2113.6667; 4.4102; 11.2816
90; 90; 90
679.97Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Ponomarova, Vira V.; Lysenko, Andrey B.; Krautscheid, Harald
Three-dimensional alkaline earth metal–organic framework poly[[μ-aqua-aquabis(μ3-carbamoylcyanonitrosomethanido)barium] monohydrate] and its thermal decomposition
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 986-992
7063346 CIFC11 H20 Br N O2 SP -17.546; 8.634; 10.975
75.459; 80.375; 83.214
680.2Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.
Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization
New Journal of Chemistry, 2024, 48, 13506-13513
1571736 CIFC30 H38 N2 O4P -15.088; 7.898; 17.03
93.5; 92.9; 93.65
680.7Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.
Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.
Chemical science, 2024, 15, 9630-9640
1573215 CIFC16 H14 O5P 1 21 16.7856; 6.0442; 16.6292
90; 92.683; 90
681.27Xu, Zurong; Zhu, Dong; Wu, Rui; Zhu, Shifa
Tandem Rh(ii)-catalyzed 1,3-acyloxy migration/intermolecular [2 + 2] cycloaddition of electron-deficient propargylic esters with alkenes and alkynes.
Chemical science, 2024, 16, 205-210
7715859 CIFC12 H6 Cd N4 O8P 1 21 110.5242; 5.4425; 12.4602
90; 107.135; 90
682.02García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
1572124 CIFC15 H12 F3 N O2P -16.6355; 7.3234; 15.7183
82.822; 80.835; 65.136
682.74Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro
Preparation of intrinsically fragile bent crystals.
Chemical science, 2024, 15, 12258-12263
7715637 CIFC28 H20 Cu N18P -18.1722; 9.1044; 10.0931
91.45; 113.458; 96.047
683.2Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Holub, Mariia; Vitushkina, Svitlana; Samoľová, Erika; Čižmár, Erik; Váhovská, Lucia
Influence of the phonon-bottleneck effect and low-energy vibrational modes on the slow spin-phonon relaxation in Kramers-ions-based Cu(II) and Co(II) complexes with 4-amino-3,5-bis-(pyridin-2-yl)-1,2,4-triazole and dicyanamide.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6950-6964
1573263 CIF
Paper
C5 H2 Cl3 N OP 1 21/c 16.1616; 22.3074; 5.0396
90; 99.356; 90
683.47Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.
3,5,6-Trichloropyridin-2-ol
IUCrData, 2024, 9
2312664 CIF
HKL
Paper
C11 H15 N5 O3 SP -16.8382; 8.3657; 12.5848
92.727; 104.992; 99.194
683.5Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 728-733
7063063 CIFC16 H8 Br2 N2P -13.9428; 7.726; 22.719
91.706; 92.741; 98.326
683.5Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063427 CIFC16 H15 N3 OP 1 21 18.1513; 5.6813; 14.797
90; 93.787; 90
683.75Gogoi, Priyanka; Rahman, Monisur; Hazarika, Roktopol; Das, Babulal; Deori, Kalyanjyoti; Sarma, Diganta
Regioselective one-pot synthesis of 1,4-disubstituted 1,2,3-triazoles over Ag–Zn-based nanoheterostructured catalysts
New Journal of Chemistry, 2024, 48, 16609-16619
7249319 CIFC20 H16 F8 I4 O4P -18.1008; 8.2512; 10.7542
76.846; 78.005; 89.406
684.17Wang, Weizhou; Ji, Baoming
The C–I⋯O halogen bonding in crown ether chemistry
CrystEngComm, 2024, 26, 5309-5313
7248287 CIFC32.01 H34 N4 O4P -15.3597; 8.29; 15.7629
99.995; 93.825; 95.201
684.48Giri, Indrajit; Biswas, Sagar; Chhetri, Shant; Choudhuri, Anwesha; Mondal, Indrajit; Senanayak, Satyaprasad P.; Iyer, Parameswar Krishnan; Chaudhuri, Debangshu; Vijayaraghavan, Ratheesh K.
Ambient stable solution-processed organic field effect transistors from electron deficient planar aromatics: effect of end-groups on ambient stability
RSC Advances, 2024, 14, 7915-7923
7249113 CIFC20 H14 O2P 1 21/n 19.2316; 7.44094; 10.0891
90; 98.8945; 90
684.7Hoser, Anna; Zwolenik, Aleksandra; Makal, Anna
On the importance of low-frequency modes in predicting pressure-induced phase transitions.
Physical chemistry chemical physics : PCCP, 2024, 26, 20745-20749
7159838 CIFC17 H10 F3 N OP -17.2327; 7.6558; 13.5621
100.334; 95.405; 109.676
685.89Liu, Jiami; Lu, Yi; Zhu, Lingxuan; Lei, Xinsheng
Construction of indolizine scaffolds from α,ω-alkynoic acids and α,ω-vinylamines <i>via</i> sequential-relay catalysis in "one pot".
Organic & biomolecular chemistry, 2024, 22, 2474-2479
7248014 CIFK2 S8 Si3 ZnP -16.9955; 7.4508; 14.2302
87.204; 81.546; 69.495
687.16Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying
Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8
CrystEngComm, 2024, 26, 691-696
2312718 CIF
HKL
C15 H13.968 O8.984P -13.7244; 13.05; 14.982
71.986; 83.86; 85.624
687.8Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 766-781
7133610 CIFC11 H10 Br2 N4 ZnP -17.696; 7.9855; 11.6761
76.839; 84.112; 81.127
688.66Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar
Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes.
Chemical communications (Cambridge, England), 2024, 60, 10398-10401
7160145 CIFC16 H16 Cl N OP -15.6237; 7.7655; 16.0712
83.991; 84.029; 82.486
689.08Jayakumar, Jyothylakshmi; Rajasekhara Reddy, Sabbasani
Molecular oxygen-promoted sustainable synthesis of functionalized quinolines using catalytic glucose-derived ionic liquids and copper.
Organic & biomolecular chemistry, 2024, 22, 8472-8479
1573181 CIFC30 H30 Al2 N2P -19.0697; 9.2595; 9.8024
112.117; 105.052; 102.588
689.09Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
7247755 CIFC4 H6 K2 N11 O6P -14.0899; 8.238; 20.69
96.88; 90.38; 95.16
689.2Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi
N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives
CrystEngComm, 2024, 26, 143-152
7249726 CIFC12 H38 Cl4 O20 Sc2P -17.623; 9.6669; 9.8696
77.848; 80.556; 77.706
689.26Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao
Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes.
Physical chemistry chemical physics : PCCP, 2024
7248633 CIFC7 H4 N2 O2 SP 1 21/n 13.70347; 6.3835; 29.2533
90; 92.866; 90
690.72Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7248571 CIFC15 H16 N2 O5P -17.456; 8.475; 11.895
82.16; 76.38; 71.47
691.1Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit
Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals
CrystEngComm, 2024, 26, 2871-2882
1573188 CIFC28 H24 Al2 Br2 N2P -19.0374; 9.3213; 9.7274
110.307; 104.486; 104.444
691.18Lückert, Paula L; Gilmer, Jannik; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias
Donor-free 9,10-dihydro-9,10-dialuminaanthracenes.
Chemical science, 2024, 16, 147-155
7063290 CIFC15 H11 Br N4 O2P 1 c 116.1068; 5.7977; 7.4341
90; 94.755; 90
691.82El Bakri, Youness; Siddique, Sabir Ali; Mohamed, Shaaban K.; Sarfraz, Muhammad; Abuelizz, Hatem A.; Al-Salahi, Rashad; Mague, Joel T.; Ahmed, Eman A.
Synthesis, investigation of the crystal structure, DFT calculations, and in silico medicinal potential of hydrazono- and aminomethylene substituted pyrazolidine-3,5-diones as potential anticancer scaffolds
New Journal of Chemistry, 2024, 48, 12591-12608
7159728 CIFC17 H16 O4P 1 21 15.1299; 14.7848; 9.1241
90; 90.366; 90
692Fernandes, Rodney A.; Ranjan, Ravikant S.
Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
Organic & biomolecular chemistry, 2024, 22, 811-822
2312495 CIF
Paper
C11 H10 Cl2 N6P -17.9855; 8.6004; 10.9109
69.598; 82.227; 82.015
692.48Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7249044 CIFC H NP 1 21/c 112.3661; 7.7969; 7.2005
90; 92.93; 90
693.34Britto, Kashpar John; Meenakshi, Maniarasu; Srinivasan, Kannupal
Synthesis of 1-aryl-2,3-diaroyl cyclopropanes from 1,3,5-triaryl-1,5-diketones and their transformation into E,E-1,4-diaryl-1,3-butadienes
RSC Advances, 2024, 14, 22076-22085
7249589 CIFC4 H5 N2 O4 ReP 1 21/c 19.8128; 9.7587; 7.4027
90; 101.976; 90
693.45Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7249537 CIFC14 H7 F5 N2 O SP 1 21 18.188; 7.0323; 12.3527
90; 102.82; 90
693.54Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Investigation of the titanium-mediated catalytic enantioselective oxidation of aryl benzyl sulfides containing heterocyclic groups
RSC Advances, 2024, 14, 35105-35113
7249060 CIFC16 H20 Br9 N2 SbP -17.1919; 8.9352; 12.059
69.046; 74.269; 80.096
694.14Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.
Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems
CrystEngComm, 2024, 26, 4518-4524
7249324 CIFC10 H8 F4 I2 O2P -17.5395; 8.6077; 12.2413
94.007; 103.778; 113.576
694.9Wang, Weizhou; Ji, Baoming
The C–I⋯O halogen bonding in crown ether chemistry
CrystEngComm, 2024, 26, 5309-5313
2312480 CIF
Paper
C8 H14 Cu3 N6 O2P 1 21/c 19.5158; 8.8022; 9.3589
90; 117.358; 90
696.22Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher
Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7132559 CIFC14 H14 Cd O2 S2P -16.8847; 8.411; 12.8724
92.96; 101.422; 105.459
699.89Nishibe, Asuka; Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Tsuruoka, Takaaki; Tanaka, Daisuke
Engineering of CdS-chain arrays assembled through S⋯S interactions in 1D semiconductive coordination polymers.
Chemical communications (Cambridge, England), 2024, 60, 1277-1280
7159989 CIFC12 H16 N2 O5 SP 1 21 110.267; 5.7556; 11.9973
90; 98.887; 90
700.44Gharpure, Santosh J.; Kalita, Deepika; Somani, Shipra; Pal, Juhi
Deciphering substitution effects on reductive hydroalkoxylation of alkynyl aminols for stereoselective synthesis of morpholines and 1,4-oxazepanes: total synthesis of tridemorph and fenpropimorph.
Organic & biomolecular chemistry, 2024, 22, 5529-5533
7714718 CIFC10 H14 Cl2 N6 ZnP -17.5911; 8.0921; 11.88
77.36; 80.01; 86.56
701.1Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William
Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1066-1086
7716664 CIFC12 H15 Cl N4 O3 PtP -17.9549; 9.4351; 10.4761
84.97; 69.813; 72.252
702.73Lv, Zhimin; Ali, Amjad; Zou, Cheng; Wang, Zerui; Ma, Minglu; Cheng, Na; Shad, Man; Hao, Huifang; Zhang, Yongmin; Rahman, Faiz-Ur
Salicylaldehyde-derived piperazine-functionalized hydrazone ligand-based Pt(II) complexes: inhibition of EZH2-dependent tumorigenesis in pancreatic ductal adenocarcinoma, synergism with PARP inhibitors and enhanced apoptosis.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13871-13889
7248638 CIFC7 H4 N2 O2 SeP 1 21/c 112.8823; 3.76622; 15.6812
90; 112.529; 90
702.75Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7716214 CIFC10 H12 Cd Cl2 N4 O2P -17.132; 8.627; 12.649
69.79; 75.84; 78.74
702.9Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz
Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10347-10360
7248654 CIFC12 H12 Ag F5 O3P -15.59808; 10.23969; 12.79989
97.6393; 96.3916; 102.328
703.009Ward, Jas S.
The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent
CrystEngComm, 2024, 26, 3088-3097
7132825 CIFC12 H11 Br2 N3 ZnP -17.8069; 7.8757; 11.9902
77.783; 85.879; 77.735
703.79Samanta, Arup; Behera, Prativa; Chaubey, Amit; Mondal, Avijit; Pal, Debjyoti; Mohar, Kailash; Roy, Lisa; Srimani, Dipankar
Experimental and theoretical insights for designing Zn<sup>2+</sup> complexes to trigger chemo-selective hetero-coupling of alcohols.
Chemical communications (Cambridge, England), 2024, 60, 4056-4059
7063347 CIFC11 H17 Br F3 N O2 SP -17.6458; 8.4634; 11.3756
75.804; 81.317; 85.101
704.55Moskalik, Mikhail Yu.; Garagan, Ivan A.; Shainyan, Bagrat A.; Yarovaya, Olga I.; Ganin, Anton S.; Astakhova, Vera V.; Sterkhova, Irina V.; Zinchenko, Sergey V.; Salakhutdinov, Nariman F.; Radzhabov, Amirbek D.
Halosulfonamidation of camphene: chemo and stereoselectivity, rearrangement, solvent interception, heterocyclization
New Journal of Chemistry, 2024, 48, 13506-13513
7248971 CIFC12 H18 Br N5 OP -17.1754; 9.5801; 11.495
74.019; 71.999; 73.388
704.82Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam
Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand
CrystEngComm, 2024, 26, 4167-4180
1571696 CIFC18 H17 N O2P 1 21 15.9523; 13.5277; 9.0395
90; 104.324; 90
705.24Kilgallon, Landon J.; McFadden, Timothy P.; Sigman, Matthew S.; Johnson, Jeremiah A.
Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure-propagation rate relationships and enabling facile post-polymerization modification.
Chemical science, 2024, 15, 8334-8345
7248554 CIFC30 H24 N6 O8P -16.7011; 9.6663; 11.8016
100.928; 98.038; 106.164
705.72Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo
Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering
CrystEngComm, 2024, 26, 2976-2988
1572817 CIF
Paper
C6 H10 N2 O2P 1 21/n 17.3781; 8.005; 12.1306
90; 99.767; 90
706.07Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham
1,4-Dimethylpiperazine-2,3-dione
IUCrData, 2024, 9
7248058 CIFC16 H14 N6 OP -15.3231; 11.4404; 12.235
73.954; 81.185; 89.683
707.1Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.
Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound
CrystEngComm, 2024, 26, 1481-1493
7247954 CIFC10 H21 N3 O5 SP 1 21 14.9438; 17.0476; 8.7107
90; 105.326; 90
708.03Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke
Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine
CrystEngComm, 2024, 26, 943-950
7249277 CIFC14 H11 Cd N5 O4P -17.8965; 8.168; 11.425
83.743; 77.408; 81.266
708.63Mei, Zhen-Zhong; Wang, Hong-Yu; Ren, Chao; Yang, Ying; Gu, Jin-Zhong
Hydrothermal synthesis, structures, and catalytic performance of five coordination compounds driven by 5-aminoisophthalic acid
RSC Advances, 2024, 14, 28160-28167
7714796 CIFC4 H14 Br4 Mn N4P -17.8711; 7.97838; 12.90853
72.66; 78.5236; 67.0044
709.158Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.
Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2722-2730
1571447 CIFC16 H13 Br2 N OP 1 21/m 18.6747; 6.9706; 12.3186
90; 107.234; 90
711.44Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien
Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.
Chemical science, 2024, 15, 7206-7218
2312401 CIF
Paper
C26 H28 Co N6 O4 S2P -17.0709; 9.6651; 11.0401
90.609; 96.346; 108.09
711.99Näther, Christian; Jess, Inke
Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine <i>N</i>-oxide)cobalt(II) showing two different metal coordination polyhedra.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 174-179
7248551 CIFC15 H12 N3 O4P -18.7312; 9.7117; 9.9811
116.628; 99.297; 100.912
713.03Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo
Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering
CrystEngComm, 2024, 26, 2976-2988
7133432 CIFC18 H14 F N O2P -19.277; 9.5602; 9.7665
104.289; 110.312; 107.388
713.26Zhang, Jinhui; Mao, Lihua; Liu, Chao; Tan, Xiangwen; Wu, Jiahao; Wei, Xuefeng; Wu, Wanqing; Jiang, Huanfeng
Palladium-catalyzed 1,1-aminoxylation of 3-butenoic acid with 2-alkynylanilines.
Chemical communications (Cambridge, England), 2024, 60, 9404-9407
7063070 CIFC20 H16 N2 OP -15.6923; 11.2384; 11.8487
109.053; 93.53; 92.661
713.32Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li
Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water
New Journal of Chemistry, 2024, 48, 6103-6108
7249083 CIFC2.14 H2.29 N0.29 O0.71P -16.845; 7.2531; 15.6037
95.832; 98.967; 108.964
714Kumar, Ram; Singh, Bholey; Gahlyan, Parveen; Verma, Abhishek; Bhandari, Mamta; Kakkar, Rita; Pani, Balaram
An innovative Schiff-base colorimetric chemosensor for the selective detection of Cu2+ ions and its applications
RSC Advances, 2024, 14, 23083-23094
1571086 CIFC15 H11 Br N2 O4P -15.1722; 11.4102; 12.6516
76.401; 85.975; 80.371
715.12Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
7133214 CIFC19 H13 O PP -17.2774; 8.0944; 13.1388
81.7506; 79.8049; 70.6319
715.63Hu, Lei; Chakraborty, Sayandip; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume
Regulating iminophosphorane PN bond reactivity through geometric constraints with cage-shaped triarylphosphines.
Chemical communications (Cambridge, England), 2024, 60, 7073-7076
1572859 CIFC16 H16 Cl N3 OP -15.2898; 7.8669; 17.559
99.161; 96.187; 90.692
716.87Zhu, Jiaxuan; Wu, Wenbo; Qi, Haoqiang; Yao, Yutong; Yu, Hui; Huang, Xin; Wang, Na; Wang, Ting; Hao, Hongxun
Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators.
Chemical science, 2024, 15, 18617-18626
7132611 CIFC4 H6 N8 O2P n a 216.744; 11.212; 9.487
90; 90; 90
717.3Kumar, Parasar; Kumar, Navaneet; Ghule, Vikas D.; Dharavath, Srinivas
Zwitterionic fused pyrazolo-triazole based high performing energetic materials.
Chemical communications (Cambridge, England), 2024, 60, 1646-1649
1571102 CIFC14 H23 B O4P 1 21 110.847; 6.213; 11.06
90; 105.661; 90
717.7Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
7249580 CIFC4 H5 N2 O4 ReP 1 21/m 15.3382; 12.9726; 10.5955
90; 101.71; 90
718.47Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7248640 CIFC7 H4 N2 O2 SeP 1 21/n 18.0711; 7.5844; 12.2026
90; 105.733; 90
718.99Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7063435 CIFC36 H40 Cu N2 O2P -15.616; 11.962; 12.004
113.799; 91.846; 100.923
719.2Roy, Suparna; Barma, Arpita; Muhuri, Debasmita; Ghosh, Pritam; Roy, Partha
Synthesis and characterization of copper(ii) complexes: their catalytic behavior towards alcohol oxidation using NaOCl as the oxidant
New Journal of Chemistry, 2024, 48, 14948-14957
7715034 CIFCs2 O13 P3 Sb3P -17.2896; 9.6583; 11.588
98.748; 104.706; 109.279
719.58Hu, Mei; Wang, Jialong; Tuerhong, Nuerbiye; Zhang, Zhiyuan; Jing, Qun; Chen, Zhaohui; Yang, Yonglei; Lee, Ming-Hsien
Novel antimony phosphates with enlarged birefringence induced by lone pair cations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3377-3385
1571735 CIFC30 H36 Br2 N2 O4P -15.1363; 7.0488; 20.63
87.499; 87.373; 75.469
721.85Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.
Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.
Chemical science, 2024, 15, 9630-9640
7249058 CIFC17 H24 Br9 N2 SbP 17.7262; 8.7072; 11.2299
75.662; 82.363; 82.661
721.91Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.
Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems
CrystEngComm, 2024, 26, 4518-4524
7249518 CIFC5 H4 Br Cl N2 O2P 1 21/c 110.9173; 8.5748; 8.1733
90; 109.345; 90
721.93Naskar, Shibu; Mal, Susital; Shivangi, Shivangi; Das, Subrata
A rapid and scalable method for visible light induced bromination of uracil derivatives in a falling film looping photoreactor
RSC Advances, 2024, 14, 34925-34937
7717262 CIFC24 H34 Br2 N2 O6 Sn2P -18.1743; 9.9957; 10.3362
70.458; 67.582; 72.878
722.13Thakur, Sahil; Rohilla, Jyoti; Sharma, Sahil; Singh, Raghubir; Kamboj, Raman; Kaur, Varinder
Photosensitizing CNTs by organotin(IV) compounds: generation of reactive oxygen species and degradation of amoxicillin.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18283-18295
7716968 CIFCo1.1 Ni0.9 Zn11I -4 3 m8.9748; 8.9748; 8.9748
90; 90; 90
722.89Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim
Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14333-14346
1571399 CIFF6 O3 Pb2 Se SiP n m a13.8153; 5.447; 9.6098
90; 90; 90
723.16Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Pb<sub>2</sub>(SeO<sub>3</sub>)(SiF<sub>6</sub>): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification.
Chemical science, 2024, 15, 7104-7110
7716967 CIFCo1.4 Ni0.6 Zn11I -4 3 m8.9778; 8.9778; 8.9778
90; 90; 90
723.62Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim
Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14333-14346
7132770 CIFC13 H14 Cl N O4 SP 1 21 15.5934; 10.4137; 12.5612
90; 97.969; 90
724.6Wan, Chuan; Yang, Dongyan; Guo, Xiaochun; Zhang, Tuanjie; Ruan, Zhijun; Dai, Chuan; Xing, Yun; Yin, Feng; Wang, Rui; Li, Zigang
β-Carbonyl sulfonium enables cysteine-specific bioconjugation for activity-based protein profiling in live cells.
Chemical communications (Cambridge, England), 2024, 60, 3725-3728
1571251 CIFC36 H33 N4 PP -16.0439; 10.8817; 11.4035
102.992; 95.821; 93.214
724.61Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian
Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines.
Chemical science, 2024, 15, 5496-5506
1570384 CIFC15 H12 F4 O3 SP -16.95; 9.8071; 11.6221
90.667; 105.074; 107.794
724.72Mathuri, Ashis; Pal, Buddhadeb; Pramanik, Milan; Manna, Anupam; Mal, Prasenjit
Enhancing the photocatalytic efficiency and stability of CsPbBr3 nanocrystals for visible-light driven aerobic diaryl thio/seleno etherification
Catalysis Science & Technology, 2024, 14, 183-189
7249584 CIFC4 H5 N2 O4 ReP 1 21/n 15.8384; 8.7977; 14.3012
90; 99.293; 90
724.93Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7716249 CIFC4 H6 N4 O4P -14.6869; 11.2109; 13.967
97.482; 92.225; 92.406
726.27Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man
Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10475-10485
7063410 CIFC4 H18 N4 O12 Pt VP -17.2795; 8.2434; 12.9863
108.135; 97.304; 95.743
726.456Vorobyeva, Sofia N.; Rudzis, Zakhar V.; Sukhikh, Taisiya S.; Filatov, Evgeny Yu.; Plusnin, Pavel E.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Korenev, Sergey V.
Double complex salts based on tetraamminplatinum(ii) and vanadyl(iv) bisoxalate for the preparation of bimetallic Pt–V alloys
New Journal of Chemistry, 2024, 48, 15894-15903
1573380 CIFC12 H10 I2 N2 ZnP -15.8775; 8.0332; 15.8128
102.779; 91.996; 91.958
727García-Hernán, Andrea; Aguilar-Galindo, Fernando; Castillo, Oscar; Amo-Ochoa, Pilar
1D Zn(ii)/2D Cu(i) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment
Catalysis Science & Technology, 2024, 14, 6573-6583
7133893 CIFC2 H3 B K2 O7P n m a13.1577; 7.0592; 7.8332
90; 90; 90
727.57Wang, Xiao; Han, Tingwen; Poeppelmeier, Kenneth R.; Hou, Xueling; Pan, Shilie; Zhang, Fangfang
Exploring short-wavelength birefringent crystals <i>via</i> triggering cooperative arrangement between different π-conjugated groups.
Chemical communications (Cambridge, England), 2024, 60, 13566-13569
7716966 CIFCo1.7 Ni0.3 Zn11I -4 3 m8.9945; 8.9945; 8.9945
90; 90; 90
727.66Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim
Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14333-14346
7133781 CIFC7 H18 Cl4 Ga NP m c 217.3448; 7.0749; 14.0244
90; 90; 90
728.76Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong
An organic-inorganic hybrid perovskite material [Me<sub>3</sub>NCMe<sub>3</sub>]GaCl<sub>4</sub> exhibits a two-step off-on-off SHG response with a large temperature interval.
Chemical communications (Cambridge, England), 2024, 60, 11992-11995
2023010 CIF
HKL
Paper
C4 H10 N4 O2P 21 21 216.0356; 7.6501; 15.7851
90; 90; 90
728.84Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.
Synthesis and crystal structure of <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 148-151
7716969 CIFCo0.8 Ni1.2 Zn11I -4 3 m9.0033; 9.0033; 9.0033
90; 90; 90
729.8Mondal, Amit; Kuila, Sandip Kumar; Pan, Rahul; Patel, Shubham; Buxi, Krishnendu; Saha, Subhadip; Ghanta, Sivaprasad; Avdeev, Maxim; Jana, Partha Pratim
Understanding of magnetic behavior of the pseudo-binary Co<sub>2-<i>x</i></sub>Ni<sub><i>x</i></sub>Zn<sub>11</sub>: in the light of crystal and electronic structures.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14333-14346
1571737 CIFC30 H34 Br4 N2 O4P -15.2191; 9.7042; 14.6193
92.556; 99.112; 90.114
730.32Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.
Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.
Chemical science, 2024, 15, 9630-9640
7716341 CIFC11 H16 Cl2 Co N2 O SP -18.403; 9.2421; 9.9135
90.781; 108.38; 90.619
730.46Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun
Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11295-11309
7716386 CIFC12 H14 Cd2 N6 O4P 1 21 18.1352; 10.7178; 8.4152
90; 90.494; 90
733.706Ogungbade, Taofeek; Uland, Charles; Li, Longji; Wang, Luhan; Pansuria, Kareena; Relva, Carolina; Barn, Gregory; Kaur, Simrat Jeet; Norris, Paulin; Yan, Bangbo
Carbonic anhydrase-mimicking metal-organic frameworks built from amino acid and cadmium ions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11228-11231
7249052 CIFC16 H17 N2 O3P -17.048; 7.351; 15.499
78.09; 84.05; 69.2
734.1Saikia, Plabon; Gupta, Poonam; Nath, Tridib R.; Nath, Naba K.
Crystal-to-crystal polymorphic phase transition in a cocrystal accompanied by expansion and surface wettability change
CrystEngComm, 2024, 26, 4259-4263
7248572 CIFC16 H16 N2 O4P -17.0505; 8.0193; 13.9507
81.526; 88.415; 70.313
734.35Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit
Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals
CrystEngComm, 2024, 26, 2871-2882
1571101 CIFC14 H19 B O3 SP -16.1465; 8.6888; 14.071
102.121; 90.881; 90.055
734.63Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
2023171 CIF
Paper
C10 H9 Au Br4 N2P -17.9931; 8.4672; 11.3923
87.202; 74.635; 81.406
735.08Döring, Cindy; Jones, Peter G.
Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 729-737
7716268 CIFC13 H17 Ca N O6P -16.7506; 10.564; 10.746
77.01; 82.594; 81.892
735.5Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim
Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11120-11132
1572221 CIFCd Cl Ga9 K4 S16P 18.411; 9.8534; 9.884
68.488; 74.848; 85.152
735.54Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.
Chemical science, 2024, 15, 13753-13759
7133437 CIFC19 H15 N O3P 1 21 110.275; 6.3644; 12.1715
90; 112.449; 90
735.63Meena, Shivam A.; Thakur, Deepika; Nandy, Abhijit; Ranjan, Rahul; Rai, Anubhav; Banerjee, Shibdas; Verma, Akhilesh K.
Transition-metal free, radical oxidation of 1,6-enyne cyclopropanation: synthesis of aza-bicyclo[4.1.0]heptane derivatives.
Chemical communications (Cambridge, England), 2024, 60, 9230-9233
1572887 CIFC18 H18 SmP 1 21/n 17.383; 9.1133; 11.059
90; 98.63; 90
735.7Pedussaut, Lucie; Mahieu, Nolwenn; Chartier, Camille; Rajeshkumar, Thayalan; Tricoire, Maxime; Douair, Iskander; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Nocton, Grégory
The photo-isomerization of the cyclononatetraenyl ligand and related rare earth complexes.
Chemical science, 2024, 15, 19273-19282
2023080 CIF
Paper
C14 H23 N3 SP -17.4584; 7.7429; 13.2461
103.025; 98.735; 90.769
735.73Oliveira, Adriano Bof de; Beck, Johannes; Daniels, Jörg
Synthesis, crystal structure and Hirshfeld analysis of N-ethyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
1573899 CIFAl2 Ba O8 Si2I 1 2/m 17.2091; 13.0519; 8.5834
90; 114.311; 90
736.02Gorelova, Liudmila; Britvin, Sergey; Krzhizhanovskaya, Maria; Vereshchagin, Oleg; Kasatkin, Anatoly; Krivovichev, Sergey
Crystal structure stability and phase transition of celsian, BaAl2Si2O8, up to 1100 °C / 22 GPa
Ceramics International, 2024, 50, 54770-54777
7248766 CIFC15 H10 N3 O4 ReP -17.4408; 8.1893; 12.2524
87.694; 82.047; 85.253
736.57Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.
Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics
RSC Advances, 2024, 14, 18080-18092
1571496 CIF
Paper
C6 H12 N O9 P3 Zn2P -18.8428; 9.2779; 9.9343
79.126; 82.732; 67.279
736.99Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.
Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]
IUCrData, 2024, 9
2312382 CIF
HKL
C30 H32 Cu N10 O6P -18.3305; 8.8175; 11.501
83.096; 72.285; 66.328
737.02Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana
Tailoring the dimensionality of metal complexes via ligand modifications.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7716340 CIFC11 H16 Cl2 N2 O S ZnP -18.446; 9.2335; 9.9636
90.682; 108.394; 90.304
737.24Nayab, Saira; Jan, Kalsoom; Kim, Seung-Hyeon; Kim, Sa-Hyun; Shams, Dilawar Farhan; Son, Younghu; Yoon, Minyoung; Lee, Hyosun
Insight into the inhibitory potential of metal complexes supported by (<i>E</i>)-2-morpholino-<i>N</i>-(thiophen-2-ylmethylene)ethanamine: synthesis, structural properties, biological evaluation and docking studies.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11295-11309
2023043 CIF
HKL
Paper
C14 H16 Cu N2 O6P 1 2/c 16.9143; 6.2111; 17.169
90; 90.05; 90
737.3Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.
Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 330-334
1572526 CIFC16 H28 B10 N4 O20P -19.0501; 9.1652; 9.5476
104.254; 94.968; 103.538
737.43Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.
Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies
Inorganics, 2024, 12, 220
7714716 CIFC10 H13 Cd Cl3 N6P -17.0811; 8.2881; 13.311
76.85; 76.24; 84.19
738Hajibabaei, Farshid; Movafagh, Samaneh Sanei; Salehzadeh, Sadegh; Gable, Robert William
Complexation of drug amifampridine with Cu(II), Zn(II) and Cd(II) ions, and its dimerization with the magic of Mn(II) salts. Potential anti-COVID-19 and anticancer activities.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1066-1086
7133508 CIFC20 H24 Ce Cl8 N4P -17.5899; 9.2556; 11.8931
100.578; 104.99; 107.349
738.9Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.
Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.
Chemical communications (Cambridge, England), 2024, 60, 12185-12188
1572222 CIFCl Ga9 Hg K4 S16P 18.4316; 9.8787; 9.8986
68.22; 74.878; 84.986
739.08Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.
Chemical science, 2024, 15, 13753-13759
1570972 CIFC28 H42 N4 O4 S2P -15.0119; 10.5046; 14.7245
101.744; 99.652; 96.654
739.15Li, Kunrong; Zhang, Hezhe; Chang, Cheng; Lin, Kaiwen; Zhang, Bo; Ma, Zaifei; Wei, Dacheng; Zhang, Qing
A hydrogen bonded azine as a building block for π-conjugated polymers and their semiconducting properties
Polymer Chemistry, 2024, 15, 991-998
1572912 CIFC28 H37 Cl3 N4 O4P -17.3618; 8.291; 13.265
85.903; 88.725; 66.463
740.4Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
7717290 CIFF6 Na6 O30 Se8 V7P 6312.8701; 12.8701; 5.1654
90; 90; 120
740.97Zhu, Tianyu; Zhao, Zhiying; Cui, Meiyan; Zhang, Wenhao; He, Zhangzhen
A new <i>S</i> = 1/2 stacked kagomé lattice compound showing two successive ferromagnetic transitions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19256-19263
7247868 CIFC12 H22 Cl N O4P 1 21 15.9666; 9.8723; 12.6022
90; 93.118; 90
741.22De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.
Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks
CrystEngComm, 2024, 26, 604-619
7249590 CIFC4 H10 N O4 ReP 1 21/c 15.4974; 8.7838; 15.4679
90; 96.576; 90
742Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7062951 CIFC30 H24 Cu3 N4 O12P -18.3526; 8.6543; 10.7547
85.213; 75.719; 80.446
742.2Wang, Ling-Li; Wang, Kai-Tong; Duan, Wen-Long; Luan, Jian; Han, Xiao-Ri
Influence of bridging atoms in copper-based coordination polymers for enhancing urease inhibition activity
New Journal of Chemistry, 2024, 48, 2787-2795
2022962 CIF
HKL
Paper
C12 H12 Li2 O8 S2P 1 21/c 115.8584; 5.3693; 8.8636
90; 99.994; 90
743.27Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 22-24
7716385 CIFC6 H7 Cd N3 O2P 21 21 217.7921; 8.5071; 11.2218
90; 90; 90
743.87Ogungbade, Taofeek; Uland, Charles; Li, Longji; Wang, Luhan; Pansuria, Kareena; Relva, Carolina; Barn, Gregory; Kaur, Simrat Jeet; Norris, Paulin; Yan, Bangbo
Carbonic anhydrase-mimicking metal-organic frameworks built from amino acid and cadmium ions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11228-11231
1571956 CIFC11 H9 Au N S6P -17.5222; 7.5384; 13.3073
94.405; 97.176; 94.089
743.97Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique
Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers.
Chemical science, 2024, 15, 11604-11616
7715395 CIFC16 H21 Al N2P -18.3243; 9.3597; 10.9459
110.61; 100.206; 103.225
745.34Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo
NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5932-5946
7133484 CIFC13 H16 F3 N O3 SP -17.1898; 10.261; 10.7376
82.873; 81.112; 73.186
746.55Yamada, Shinji; Honda, Yuka
Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.
Chemical communications (Cambridge, England), 2024, 60, 9821-9824
7133969 CIFC14 H15 N O6 SP -17.9471; 7.9767; 12.2761
74.518; 88.476; 84.62
746.66Yao, Yang; Bai, Junxue; Cheng, Peidong; Yang, Han; Sun, Jianwei; Sun, Song
Base-promoted cascade 5-<i>exo-dig</i> annulation/carboxylation of <i>o</i>-(1-alkynyl)benzenesulfonamides with CO<sub>2</sub>: divergent synthesis of mono- or <i>gem</i>-dicarboxylic esters.
Chemical communications (Cambridge, England), 2024, 60, 14850-14853
2023247 CIF
Paper
C7 H8 N2 O3P 1 21/n 17.14981; 9.79512; 10.74206
90; 96.9437; 90
746.784Filley, Jonathan
Color center creation by dipole stacking in crystals of 2-methoxy-5-nitroaniline
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7248770 CIFC16 H12 N3 O4 ReP -17.37137; 8.22667; 12.8439
104.939; 94.72; 93.3929
747.38Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.
Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics
RSC Advances, 2024, 14, 18080-18092
7159914 CIFC14 H22 N2 O SP 1 21 110.7916; 6.2242; 11.7768
90; 108.897; 90
748.4Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu
Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.
Organic & biomolecular chemistry, 2024, 22, 4680-4696
7717050 CIFC4 Br2 Cu NC 1 2/m 113.848; 6.7421; 9.389
90; 121.275; 90
749.2Lin, Na; Li, Yun-Xia; Liu, Yu; Sun, Kai-Qi; Zhang, Hong-Yan; Lei, Xiao-Wu; Chen, Zhi-Wei
Broadband blue light emissions of one-dimensional hybrid Cu(I) halides with ultrahigh anti -water stability.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 16577-16584
7063442 CIFC19 H17 N OP 1 21 17.9446; 8.028; 11.7907
90; 94.139; 90
750.04Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.
Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study
New Journal of Chemistry, 2024, 48, 17472-17484
1572374 CIFC2 H9 N3 O3 SI 1 2/m 110.0029; 7.3514; 10.4776
90; 102.8; 90
751.33Li, Yang; Chen, Xinglong; Ok, Kang Min
Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.
Chemical science, 2024, 15, 15145-15151
7249587 CIFC4 H7 N2 O4 ReP 1 21/c 15.4022; 14.7984; 9.4457
90; 94.184; 90
753.11Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7247862 CIFC16 H21 O3 PP 1 21 110.2826; 6.9016; 11.6832
90; 114.723; 90
753.12Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška
Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.
Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024
7247863 CIFC16 H21 O3 PP 1 21 110.2898; 6.902; 11.6872
90; 114.772; 90
753.65Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška
Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.
Physical chemistry chemical physics : PCCP, 2024, 26, 2016-2024
7248268 CIFC17 H11 N O4P -16.9783; 7.2131; 16.191
89.097; 87.703; 67.944
754.7Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang
Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol
CrystEngComm, 2024, 26, 1319-1327
7248078 CIFC18 H20 N2 O2P 15.4476; 9.339; 15.3977
75.371; 87.564; 85.468
755.39Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua
Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines
Green Chemistry, 2024, 26, 1883-1888
1570530 CIFC15 H14 S3 SiP -17.373; 8.088; 14.38
94.58; 99.657; 114.95
755.5Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua
Thia[<i>n</i>]helicenes with long persistent phosphorescence.
Chemical science, 2024, 15, 1077-1087
7248121 CIFC17 H17 N2 OP 1 21 14.763; 10.544; 15.14
90; 96.49; 90
755.5Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita
Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes
RSC Advances, 2024, 14, 5222-5233
7133913 CIFC7 H6 N2 O4P 1 21/c 19.4038; 10.9694; 7.4547
90; 100.726; 90
755.55Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7248977 CIFC19 H16 N2 O2P 17.3522; 10.6585; 10.8591
103.317; 104.368; 104.813
756.72Fu, Meitian; Li, Jingpeng; Zhang, Zhou; Wan, Juan; Yuan, Minglong; Huang, Chao
One-pot FeCl3-catalyzed sustainable synthesis of pyrimidines using ammonium iodide, aldehydes and alkyl lactate as raw materials
Green Chemistry, 2024, 26, 8854-8860
1571296 CIFC17 H15 N3 O4P 1 21 13.85501; 13.319; 14.7962
90; 94.88; 90
756.96Venkatesh, Yarra; Marotta, Nicholas P.; Lee, Virginia M.-Y.; Petersson, E. James
Highly tunable bimane-based fluorescent probes: design, synthesis, and application as a selective amyloid binding dye.
Chemical science, 2024, 15, 6053-6063
7715855 CIFC12 H10 Co N4 O10P 1 21/n 15.0247; 25.069; 6.4693
90; 111.501; 90
758.19García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
7715857 CIFC12 H10 N4 Ni O10P 1 21/n 15.07; 24.784; 6.4982
90; 111.764; 90
758.3García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
7716803 CIFC16 H19 Al N2 OP -17.3646; 9.4194; 11.4053
77.248; 80.825; 82.816
758.47Sumrit, Pattarawut; Kamavichanurat, Sirawan; Joopor, Wasan; Wattanathana, Worawat; Nakornkhet, Chutikan; Hormnirun, Pimpa
Aluminium complexes of phenoxy-azo ligands in the catalysis of <i>rac</i>-lactide polymerisation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13854-13870
2023020 CIF
HKL
Paper
C6 H9 Cl N2 OP 1 21/c 19.842; 6.9145; 11.1807
90; 93.618; 90
759.36Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Dukhnovsky, Evgeny A.; Bhattarai, Ajaya; Khalilov, Ali N.; Mamedov, İbrahim G
Crystal structure and Hirshfeld surface analysis of 4-(2-chloro-eth-yl)-5-methyl-1,2-di-hydro-pyrazol-3-one.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 223-227
7717035 CIFC14 H14 Br N3 O2 SP -18.054; 10.596; 10.613
104.764; 109.118; 106.152
759.9Ranjani, M.; Thiruppathi, G. A.; Keerthana, V.; Ramya, M.; Kalaivani, P.; Selvakumar, S.; Shankar, R.; Srinivasan, K.; Sundararaj, P.; Prabhakaran, R.
Fluorophore-quencher complexes (Cu<sup>2+</sup>/Al<sup>3+</sup>) of coumarin Schiff bases as chemosensors for the detection of L-glutamic acid and L-arginine: <i>in vitro</i> and <i>in vivo</i> studies.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 16941-16955
7714984 CIFC H3.5 I N0.5 Sn0.25P -18.4665; 8.8203; 11.2697
77.434; 68.287; 89.901
760.26Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap
[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2465-2470
1571330 CIFC14 H8 Bi O10 S2P -15.5635; 9.3426; 15.419
98.598; 96.263; 103.897
760.41Shi, Cai; Gomez-Mendoza, Miguel; Gómez de Oliveira, Eloy; García-Tecedor, Miguel; Barawi, Mariam; Esteban-Betegón, Fátima; Liras, Marta; Gutiérrez-Puebla, Enrique; Monge, Angeles; de la Peña O'Shea, Víctor A; Gándara, Felipe
An anthraquinone-based bismuth-iron metal-organic framework as an efficient photoanode in photoelectrochemical cells.
Chemical science, 2024, 15, 6860-6866
7063436 CIFC26 H34 Br2 Cu N6 O10P -18.1767; 8.1955; 12.1083
92.454; 109.282; 95.012
760.74Roy, Suparna; Barma, Arpita; Muhuri, Debasmita; Ghosh, Pritam; Roy, Partha
Synthesis and characterization of copper(ii) complexes: their catalytic behavior towards alcohol oxidation using NaOCl as the oxidant
New Journal of Chemistry, 2024, 48, 14948-14957
7133915 CIFC7 H6 N2 O4P 1 21/c 19.3773; 10.9848; 7.5143
90; 100.458; 90
761.17Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
1570998 CIFC4 H7 Al3 F N2 O12 P3P -19.30794; 9.15665; 9.15459
88.9517; 102.148; 93.1108
761.626Dawson, Daniel M.; Clayton, Jasmine A.; Marshall, Thomas H. D.; Guillou, Nathalie; Walton, Richard I.; Ashbrook, Sharon E.
Site-directed cation ordering in chabazite-type Al<sub><i>x</i></sub>Ga<sub>1-<i>x</i></sub>PO<sub>4</sub>-34 frameworks revealed by NMR crystallography.
Chemical science, 2024, 15, 4374-4385
7063069 CIFC22 H30 Cl4 F2 N8 P4P -19.1703; 9.7421; 9.8703
74.561; 82.14; 63.676
761.65Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer
Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies
New Journal of Chemistry, 2024, 48, 5804-5819
2023168 CIF
Paper
C12 H14 Au2 Br2 N2C 1 2/m 116.738; 6.44097; 8.1923
90; 120.415; 90
761.66Döring, Cindy; Jones, Peter G.
Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 729-737
7160198 CIFC15 H12 Br Cl N2 O4P -19.1305; 9.5099; 9.6003
73.634; 81.798; 72.598
761.66Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W.
Synthesis of the 5/5-spiroindimicin alkaloids: development of a general synthetic approach and biological investigations.
Organic & biomolecular chemistry, 2024, 22, 9413-9425
7133044 CIFC18 H18 O4P 1 21/n 15.845; 17.181; 7.9441
90; 107.273; 90
761.8Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen
Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.
Chemical communications (Cambridge, England), 2024, 60, 5735-5738
7133914 CIFC7 H6 N2 O4P 1 21/c 19.4072; 10.9721; 7.5088
90; 100.453; 90
762.17Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7063441 CIFC19 H17 N OP 1 21 17.9937; 8.0745; 11.8456
90; 94.29; 90
762.43Patel, Shailykumari K.; Deshmukh, Aniket A.; Kahar, Lata; Raghavaiah, Pallepogu; Singh, Vinay K.
Chiral metal–dithiocarbamate complexes with pendant phenolic groups: synthesis, crystallographic, photophysical and in silico study
New Journal of Chemistry, 2024, 48, 17472-17484
2312423 CIF
HKL
Paper
C17 H11 F N6P -18.624; 9.503; 10.471
80.312; 81.512; 64.78
762.5Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru
Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
3000472 CIFC19 H15 N O3P -13.912; 13.011; 15.416
79.38; 88.39; 81.41
762.568Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
Crystal Growth & Design, 2024, 24, 7222-7234
1571265 CIF
Paper
C16 H21 N O3 SiP -16.7236; 7.2935; 16.1649
77.57; 80.354; 89.412
762.9Böhme, Uwe; Fels, Sabine
{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)
IUCrData, 2024, 9
7063491 CIFC16 H15 Cu N3 O3P -17.2629; 10.8594; 11.348
114.939; 104.016; 96.535
763.32Panda, Subhashree S.; Kumari, Supriya; Dixit, Manjusha; Sharma, Nagendra K.
Synthesis and DNA cleavage studies of rationally designed metallopeptides from N-salicyl-AA-picolamide (SAP) and Cu(ii) ions
New Journal of Chemistry, 2024, 48, 19188-19194
7249026 CIFC13 H5 F4 I2 N O2P 1 21 15.7685; 16.8433; 7.9199
90; 97.137; 90
763.54Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7715729 CIFC17 H13 B Cl2 N2 O2P 1 21/m 17.935; 6.703; 14.407
90; 94.76; 90
763.6Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar
Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8264-8268
2312479 CIF
Paper
C10 H18 Cu3 N6 O2P 1 21/c 19.3903; 8.9608; 9.7986
90; 112.134; 90
763.74Corfield, Peter W. R.; Elsayed, Ahmed; DaCunha, Tristan; Bender, Christopher
Crystal structures, electron spin resonance, and thermogravimetric analysis of three mixed-valence copper cyanide polymers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2023019 CIF
HKL
Paper
C16 H17 N3 O3P -19.1397; 9.4879; 10.0063
79.554; 63.787; 83.054
764.75Ait Elmachkouri, Younesse; Irrou, Ezaddine; El Monfalouti, Hanae; Mazzah, Ahmed; Hökelek, Tuncer; Mague, Joel T.; Taha, Mohamed Labd; Sebbar, Nada Kheira
Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1<i>H</i>-pyrazol-4-yl)-3-phen-yl-propano-ate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 240-246
7133559 CIFC16 H18 F N O3P 1 21 17.2717; 6.1735; 17.314
90; 100.127; 90
765.15Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue
H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.
Chemical communications (Cambridge, England), 2024, 60, 10172-10175
7249437 CIFC2 H4 As F7 O3P 21 21 217.4858; 8.0027; 12.7743
90; 90; 90
765.27Virmani, Alan; Jessen, Christoph; Nitzer, Alexander; Kornath, Andreas J.
Deoxyfluorination with superacids – synthesis and characterization of protonated α-fluorohydroxyacetic acid
RSC Advances, 2024, 14, 31517-31523
7133046 CIFC17 H18 O5P -15.8137; 8.5017; 16.6639
99.886; 92.872; 108.302
765.58Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen
Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.
Chemical communications (Cambridge, England), 2024, 60, 5735-5738
1572156 CIFC18 H18 O2 SP -19.12295; 9.29509; 10.32066
66.4462; 78.678; 73.4692
765.7Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin
Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes.
Chemical science, 2024, 15, 13271-13278
7133561 CIFC16 H18 F N O3P 1 21 17.282; 6.1726; 17.307
90; 100.162; 90
765.73Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue
H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.
Chemical communications (Cambridge, England), 2024, 60, 10172-10175
7133916 CIFC7 H6 N2 O4P 1 21/c 19.3808; 10.9778; 7.5597
90; 100.221; 90
766.15Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7133917 CIFC7 H6 N2 O4P 1 21/c 19.4094; 10.9728; 7.5549
90; 100.201; 90
767.69Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7133064 CIFC4 H6 O32 Tc2 U5P -17.7451; 8.4501; 12.7565
93.982; 99.211; 109.708
768.96Shohel, Mohammad; Nyman, May
Uranyl-Tc(VII)/Tc(V) hybrid clusters.
Chemical communications (Cambridge, England), 2024, 60, 5820-5823
2312489 CIF
Paper
C12 H13 Cl2 N5 OP -17.1227; 10.6434; 10.9101
94.031; 100.823; 107.105
769.47Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248771 CIFC15 H9 Cl N3 O4 ReP -17.5357; 8.1793; 12.8369
85.268; 78.455; 84.5
770.02Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.
Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics
RSC Advances, 2024, 14, 18080-18092
7133063 CIFC4 H18 O32 Re2 U5P -17.7354; 8.4717; 12.782
94.029; 99.086; 109.92
770.66Shohel, Mohammad; Nyman, May
Uranyl-Tc(VII)/Tc(V) hybrid clusters.
Chemical communications (Cambridge, England), 2024, 60, 5820-5823
7159822 CIFC20 H14 N2 OP -14.045; 12.408; 15.626
80.01; 88.13; 87.1
771.2Chamakiya, Chirag A.; Chothani, Savankumar R.; Joshi, Rupal J.; Bhalodia, Jasmin; Ambasana, Mrunal A.; Bapodra, Atul H.; Kapuriya, Naval
Efficient and metal-free synthesis of 2-aroyl 7-azaindoles <i>via</i> thermally induced denitrogenative intramolecular annulation of 1,2,3,4-tetrazolopyridines.
Organic & biomolecular chemistry, 2024, 22, 2192-2196
7716102 CIFC10 H12 O2 S4 Si2P 1 21/c 16.9743; 8.8737; 12.5077
90; 94.939; 90
771.2Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique
Radical and diradical states of bis(molybdenocene dithiolene) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9763-9776
1573017 CIFC9 H7 N O4P -17.49; 10.23; 10.81
82.27; 87.799; 70.095
772Vinod, Kavya; Mathew, Renny; Jandl, Christian; Thomas, Brijith; Hariharan, Mahesh
Electron diffraction and solid-state NMR reveal the structure and exciton coupling in a eumelanin precursor.
Chemical science, 2024, 15, 16015-16024
7133918 CIFC7 H6 N2 O4P 1 21/c 19.3883; 10.9737; 7.6099
90; 99.955; 90
772.2Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7248497 CIFC16 H6 F6 N4 O2P 1 21/c 14.7256; 16.4363; 9.9536
90; 91.715; 90
772.76Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng
A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels
CrystEngComm, 2024, 26, 2459-2462
7716793 CIFC26 H38 Cu2 F4 N2 O12P -17.5237; 8.2475; 14.3873
74.282; 89.651; 65.016
772.93Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh
Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13638-13661
7716794 CIFC26 H40 Cl2 Cu2 N2 O12P -17.4656; 7.9965; 14.2307
74.462; 88.045; 71.119
773.17Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh
Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13638-13661
2023050 CIF
Paper
C9 H21 Au Cl3 P SP -18.0262; 9.0839; 10.7162
86.185; 85.73; 84.468
774.12Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 355-369
2312378 CIF
HKL
Paper
C20 H14 O6P 1 21/n 13.82699; 35.3044; 5.73042
90; 90.336; 90
774.22Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7248982 CIFC16 H17 N3 O4P -18.7742; 9.1629; 10.6026
86.044; 88.978; 65.694
774.96Basanova, Elizaveta Ivanovna; Kulikova, Ekaterina; Bormotov, Nikolai I.; Serova, Olga; Shishkina, Larisa; Ovchinnikova, Alyona; Odnoshevskiy, Dmitry; Pyankov, Oleg; Agafonov, Alexander; Yarovaya, Olga; Borisevich, Sophia; Ilyina, Margarita; Kolybalov, Dmitry; Arkhipov, Sergey; Bogdanov, Nikita; Pavlova, Marina A.; Salakhutdinov, Nariman; Perevalov, Valery P.; Nikitina, Polina A.
2-Aryl-1-hydroxyimidazoles possessing antiviral activity against wide range of orthopoxviruses including Variola virus.
RSC Medicinal Chemistry, 2024
1571269 CIF
Paper
C16 H12 F N3 O S2P -16.7949; 6.9491; 16.708
89.525; 82.547; 82.347
775.26Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
IUCrData, 2024, 9
7160201 CIFC18 H14 F3 N3P -17.0003; 10.2027; 12.3065
105.651; 105.77; 101.84
776.85Ajitrao Kisan, Devadkar; Paul, Ishita; Dey, Soumyadip; Sau, Abhijit; Panda, Tarun K.
Facile access to trifluoromethyl propargyl alcohol by metal-free transfer hydrogenation and cyanation of alkynyl ketones.
Organic & biomolecular chemistry, 2024, 23, 197-201
7132734 CIFC18 H15 Br O3P 1 21 17.2004; 6.8661; 16.0022
90; 100.88; 90
776.91Sarkar, Rahul; Korell, Alexander; Schneider, Christoph
Organocatalytic enantioselective oxa-Piancatelli rearrangement.
Chemical communications (Cambridge, England), 2024, 60, 3063-3066
2023158 CIF
Paper
C12 H14 Cl4 Co N2P -16.6419; 7.6512; 15.837
99.458; 98.02; 97.046
777.3Jagadeesan, Sivaraman; Robert, Swinton Darious; Venkatesan, Perumal; Sundararaj, Rajamanikandan; Soundararajan, Krishnan; Nithianantham, Jeeva Jasmine
Crystal structure and Hirshfeld surface analysis of 6,6'-dimethyl-2,2'-bi-pyridine-1,1'-diium tetra-chlorido-cobaltate(II).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 709-712
7133920 CIFC7 H6 N2 O4P 1 21/c 19.4017; 10.963; 7.6527
90; 99.639; 90
777.63Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7715216 CIFC26 H44 B2 N8 NiP -18.9341; 9.5418; 10.1375
69.393; 85.022; 74.058
777.74Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo
NHC-ligated nickel(II) cyanoborate complexes and salts.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5391-5400
7247756 CIFC4 H8 N10P 1 21/c 19.0488; 13.078; 6.7239
90; 101.968; 90
778.4Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi
N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives
CrystEngComm, 2024, 26, 143-152
7716145 CIFC10 H22.6 N16 Ni2 O25.3P -18.4655; 9.6141; 10.7999
91.342; 104.194; 112.809
778.58Yadav, Abhishek Kumar; Rajak, Richa; Dharavath, Srinivas
Elevating the energetic capabilities of metal coordination compounds by incorporating nitrate anions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10093-10098
1572101 CIFC20 H22 N2P 1 21 16.8833; 7.8177; 14.677
90; 99.67; 90
778.6Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo
C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.
Chemical science, 2024, 15, 12732-12738
7248932 CIFC3 H8 N8 OP 1 21/c 14.8465; 9.6906; 16.5974
90; 92.765; 90
778.6Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo
Constructing layered structure amidine-based pentazolate salts with low sensitivity
CrystEngComm, 2024, 26, 4114-4120
7159813 CIFC17 H14 N4 O2P -19.5735; 9.5741; 10.0303
113.649; 108.152; 94.284
778.9Lu, Qing; He, Yanmin; Chang, Junbiao; Yu, Wenquan
Synthesis of 2,2-difunctionalized 2<i>H</i>-azirines <i>via</i> I<sub>2</sub>-mediated annulation of enamines.
Organic & biomolecular chemistry, 2024, 22, 2292-2299
7714900 CIFC36 H26 Cd N4 S2P -15.956; 9.0721; 15.5189
73.89; 83.762; 75.613
779.64Datta, Sourav; Dey, Sunanda; Sinha, Chittaranjan; Dutta, Basudeb; Banerjee, Priyabrata; Mir, Mohammad Hedayetullah
Exploitation of a 1D coordination polymer as a portable kit for an eye-catching fluorometric response towards sensing of trivalent cations.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2859-2866
7063230 CIFC32 H34 Cu2 N10 O2P -19.489; 9.759; 10.043
63.432; 89.48; 71.598
779.7Mohammed, Thasnim P.; Thennarasu, Abinaya Sushana; Jothi, Ravi; Gowrishankar, Shanmugaraj; Velusamy, Marappan; Patra, Suman; Sankaralingam, Muniyandi
Investigation of the inherent characteristics of copper(ii) Schiff base complexes as antimicrobial agents
New Journal of Chemistry, 2024, 48, 12877-12892
1571002 CIFAs Cu2 H7 O9 PbP 1 21/n 15.9131; 7.8478; 16.8158
90; 90.007; 90
780.33Malcherek, Thomas; Mihailova, Boriana; Schlüter, Jochen; Roth, Philippe; Meisser, Nicolas
Heimite, PbCu2(AsO4)(OH)3 ⋅ 2H2O, a new mineral from the Grosses Chalttal deposit, Switzerland
European Journal of Mineralogy, 2024, 36, 153-164
1572359 CIFAs Cu2 H7 O9 PbP 1 21/n 15.9131; 7.8478; 16.8158
90; 90.007; 90
780.33Malcherek, Thomas; Mihailova, Boriana; Schlüter, Jochen; Roth, Philippe; Meisser, Nicolas
Heimite, PbCu2(AsO4)(OH)3 ⋅ 2H2O, a new mineral from the Grosses Chalttal deposit, Switzerland
European Journal of Mineralogy, 2024, 36, 153-164
7247747 CIFC30 H32 Mn2 N6 O8P -17.8214; 9.9952; 10.4841
94.868; 105.897; 94.543
780.92Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra
Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering
CrystEngComm, 2024, 26, 80-99
7133084 CIFAl B3 Cl Cs O6P -3 c 17.0716; 7.0716; 18.0458
90; 90; 120
781.52Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min
CsAlB<sub>3</sub>O<sub>6</sub>Cl: the rational construction of a KBBF-type structure with aligned <sup>2</sup><sub>∞</sub>[AlB<sub>3</sub>O<sub>6</sub>Cl] layers <i>via</i> introducing unprecedented [AlO<sub>3</sub>Cl] tetrahedra.
Chemical communications (Cambridge, England), 2024, 60, 6516-6519
1573606 CIFC32 H46 N4 O4P -16.4847; 7.741; 16.693
91.501; 98.704; 108.733
781.9Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi
Designing Anti-bacterial Supramolecular Gels from Primary Ammonium Dicarboxylate (PAD) salts for Self-Delivery Applications
Faraday Discussions, 2024
7133562 CIFC16 H18 F N O3P 1 21 17.2717; 6.3005; 17.295
90; 99.245; 90
782.1Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue
H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.
Chemical communications (Cambridge, England), 2024, 60, 10172-10175
7715856 CIFC12 H10 N4 O10 ZnP 1 21/n 15.095; 25.1353; 6.5334
90; 110.793; 90
782.2García-García, Amalia; Medina-O'donnell, Marta; Rojas, Sara; Cano-Morenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, Juan; Vitorica-Yrezabal, Iñigo J; Rodríguez-Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8988-9000
7133565 CIFC16 H18 F N O3P 1 21 17.275; 6.2945; 17.3045
90; 99.161; 90
782.31Mao, Wei-Xin; Zhou, Long-Xing; Deng, Xin; Lan, Jin-Fei; Song, Xian-Jiang; Zhang, Han-Yue
H/F substitution achieves high piezoelectricity in enantiomeric molecular crystals.
Chemical communications (Cambridge, England), 2024, 60, 10172-10175
7249559 CIFC14 H18 Cl2 O2 TeP 1 21 18.389; 12.312; 8.461
90; 116.32; 90
783.3Singh, Puspendra; Khan, Mariya; Duthie, Andrew; Butcher, Ray J.
Synthesis and characterization of carbonyl functionalized organotellurium(iv) derivatives
RSC Advances, 2024, 14, 35650-35656
7159938 CIFC17 H20 O6P 1 21 18.3489; 5.0069; 18.757
90; 91.038; 90
783.95Pocock, Ian A.; Doulcet, Julien; Rice, Craig R.; Sweeney, Joseph B.; Gill, Duncan M.
Stereocontrolled synthesis of the aconitine D ring from D-glucose.
Organic & biomolecular chemistry, 2024, 22, 4347-4352
2023153 CIF
Paper
C14 H20 N2 O8P 1 21/n 16.2521; 11.4122; 11.1413
90; 99.4832; 90
784.07Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
Crystal structures of 1,1'-bis-(carb-oxy-meth-yl)-4,4'-bipyridinium derivatives.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 695-698
7133921 CIFC7 H6 N2 O4P 1 21/c 19.427; 10.9529; 7.6965
90; 99.34; 90
784.15Harsha, Priyasha; Das, Dinabandhu
Bidirectional strain release in a thermosalient organic salt crystal induced by anisotropic thermal expansion and phase transformation.
Chemical communications (Cambridge, England), 2024, 60, 14105-14108
7160067 CIFC15 H17 F N2 O5P 1 21 16.3774; 8.9628; 13.9221
90; 99.748; 90
784.29Esteban, Alberto; Ortega, Pablo; Sanz, Francisca; Jambrina, Pablo G.; Díez, David
Crystallization-induced diastereomer transformation assists the diastereoselective synthesis of 4-nitroisoxazolidine scaffolds.
Organic & biomolecular chemistry, 2024, 22, 6582-6592
1572139 CIFC19 H19 N O2P 15.9905; 8.0684; 16.5496
96.029; 98.627; 92.934
784.65Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang
Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis.
Chemical science, 2024, 15, 12983-12988
7132463 CIFC6 H11 F3 O4P n m a17.1696; 9.4705; 4.8298
90; 90; 90
785.35Haridas, Shyamkumar V.; von Delius, Max
Synthesis and supramolecular properties of all-<i>cis</i>-2,4,6-trifluorocyclohexane-1,3,5-triol.
Chemical communications (Cambridge, England), 2024, 60, 606-609
7249023 CIFC15 H7 F4 I2 N OP -18.1512; 9.2659; 11.0875
103.811; 95.582; 101.302
788.26Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7714983 CIFC4 H14 Br6 N2 SnP 1 21/m 110.1731; 7.5558; 10.3974
90; 99.273; 90
788.76Vishwajith, Nagale S.; Sharma, Mridul Krishna; Jain, Isha; Vishnoi, Pratap
[NH<sub>3</sub>(CH<sub>2</sub>)<sub>4</sub>NH<sub>3</sub>]SnX<sub>4</sub> (X = Br, I): Dion-Jacobson type 2-D perovskites with short interlayer spacing.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2465-2470
7063065 CIFC18 H8 Br2 N2P -16.7908; 9.4219; 13.421
80.129; 79.462; 70.322
789.3Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7062929 CIFH4.2 Mn6.75 O18.845 V4P 63 m c13.1893; 13.1893; 5.2408
90; 90; 120
789.54Shvanskaya, Larisa V.; Krikunova, Polina V.; Vasilchikova, Tatyana M.; Borovikova, Elena Y.; Volkova, Olga S.; Vasiliev, Alexander N.
Crystal structure, infrared spectroscopy and thermodynamic properties of a manganese member of the ellenbergerite family
New Journal of Chemistry, 2024, 48, 1952-1957
7715730 CIFC17 H13 B Br2 N2 O2P 1 21 16.877; 14.447; 7.97
90; 93.81; 90
790.1Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar
Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8264-8268
2312422 CIF
HKL
Paper
C17 H11 Cl N6P -18.5105; 9.3681; 10.8959
81.355; 82.482; 67.388
790.3Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru
Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7249585 CIFC4 H7 N2 O4 ReP -17.0126; 8.0573; 14.2499
99.816; 91.37; 93.454
791.45Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7249725 CIFC6 H18 Cl4 Mn2 O8P 1 21/c 17.5432; 17.4282; 6.4639
90; 111.271; 90
791.88Wu, Yi; Xie, Linchen; Jiang, Ye; He, Anqi; Li, Da; Yang, Limin; Xu, Yizhuang; Liu, Kexin; Ozaki, Yukihiro; Noda, Isao
Further exploration of the physicochemical nature of μ<sub>2</sub>-bridge-relevant deprotonations <i>via</i> the elucidation of four kinds of alditol complexes.
Physical chemistry chemical physics : PCCP, 2024
7716861 CIFC18 H14 O4 S2P -18.0729; 9.8805; 11.0153
96.363; 104.018; 108.327
792.37Mangue, Jordan; Wehrung, Iris; Pécaut, Jacques; Ménage, Stéphane; Orio, Maylis; Torelli, Stéphane
Bio-inspired copper complexes with Cu<sub>2</sub>S cores: (solvent) effects on oxygen reduction reactions.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15576-15582
1572622 CIFC3.75 H1.75 Cd0.25 N0.75 O1.75 S0.25P -17.7436; 9.132; 12.604
108.398; 91.815; 108.545
793.1Ma, Lin; Zhang, Tiexin; Li, Mochen; Zhang, Xu; Li, Lanqiao; Shi, Yusheng; Cai, Rui; Yang, Xueming; Duan, Chunying
Electron transport chain-inspired coordination polymers for macroscopic spatiotemporal scales of charge separation and transport in photocatalysis.
Chemical science, 2024, 15, 17150-17160
7133136 CIFC20 H30 OP -16.0028; 11.2789; 13.1074
64.982; 80.954; 87.69
793.83Dethe, Dattatraya H.; Sharma, Nitin; Juyal, Sakshi; Singh, Prabhakar; Siddiqui, Salman A.
Enantioselective total synthesis of atisane diterpenoids: (+)-sapinsigin H, (+)-agallochaol C, and (+)-16α, 17-dihydroxy-atisan-3-one.
Chemical communications (Cambridge, England), 2024, 60, 7866-7869
1571721 CIFC10 H14 Li2 N4 O10P 1 21/n 18.821; 10.477; 9.205
90; 110.89; 90
794.8Li, Yang; Ok, Kang Min
Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals
Chemical Science, 2024, 15, 10193-10199
7063194 CIFC8 H6 Cl N6 O9 RuP -111.832; 10.309; 7.057
100.36; 103.78; 73.31
795Alhadhrami, Abdulrahman
Nano-crystallites of a ruthenium(iii) violurate complex: synthesis, characterization, PXRD and DFT structural analysis. DNA/HSA-binding, antiviral activity against COVID-19 and molecular docking study
New Journal of Chemistry, 2024, 48, 9718-9737
2312399 CIFC18 H22 N2 OP -18.383; 9.2872; 11.2981
78.991; 71.009; 74.174
795.14Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen
(<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 201-206
2312709 CIF
HKL
Paper
C17 H23 I N2P 1 21 15.76; 7.9063; 17.6186
90; 97.412; 90
795.65Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
1572751 CIFC24 H32 F6 N8 O6 S2 ZnP 18.4126; 8.7175; 11.8242
68.674; 81.829; 82.012
795.98Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata
Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.
Chemical science, 2024, 15, 18000-18007
7249486 CIFC21 H14 N4 O2P -19.1156; 9.7993; 10.6132
93.016; 112.64; 111.021
796.49Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip
Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator
RSC Medicinal Chemistry, 2024
7063324 CIFAg8 B8 Br H O16P -18.7338; 8.808; 10.8986
79.573; 89.317; 75.242
796.84Huai, Lei; Liu, Wenlong; Zhang, Bei-Bei; Tang, Ru-Ling; Lv, Yi-Lei; Wei, Yue-Qi; Guo, Sheng-Ping
Exploration of silver borates with diverse low-dimensional anion frameworks by introducing monovalent heteroanions
New Journal of Chemistry, 2024, 48, 13805-13813
7714868 CIFC12 H12 Ag2 Co N8P -4 21 c11.33; 11.33; 6.2085
90; 90; 90
796.98Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna
New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2833-2847
7714663 CIFC36 H50 B2 N2 O2P -17.7792; 10.3; 10.4076
78.833; 82.411; 78.433
797.7Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger
CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 449-453
7249106 CIFC15 H12 Cl2 N2 O5P -17.5264; 9.7054; 11.9792
69.028; 85.313; 77.701
798.31Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu
Why does the niclosamide drug form solvates or hydrates?
CrystEngComm, 2024, 26, 4313-4328
7247935 CIFC16 H16 Cl N O2 SP -17.5547; 10.3453; 11.0141
87.479; 80.687; 70.175
799.07Huang, Yu-Wen; Li, Jia-Zhuo; Yang, Feng; Zhang, Xi-Yu; Wang, Yan-Jing; Meng, Xin-Chao; Leng, Bo-Rong; Wang, De-Cai; Zhu, Yi-Long
Photocatalytic selective synthesis of (E)-β-aminovinyl sulfones and (E)-β-amidovinyl sulfones using Ru(bpy)3Cl2 as the catalyst
RSC Advances, 2024, 14, 700-706
7062994 CIFC17 H11 Cl I N3 OP -17.21715; 7.40565; 15.40204
82.061; 79.0302; 89.6967
800.23Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.
Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry
New Journal of Chemistry, 2024, 48, 4831-4845
2312421 CIF
HKL
Paper
C17 H11 Br N6P -18.551; 9.4214; 11.5813
85.894; 70.776; 65.64
800.3Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru
Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7716705 CIFC11 H8 Cl F2 N O10 TbP -15.1017; 10.763; 14.8712
95.724; 99.786; 90.157
800.52Oggianu, Mariangela; Bertolotti, Federica; Manna, Fabio; Congiu, Francesco; Cappai, Antonio; Melis, Claudio; Concas, Giorgio; Avarvari, Narcis; Masciocchi, Norberto; Mercuri, Maria Laura
Slow magnetic relaxation in a heteroleptic anilate-based Dy<sup>III</sup> metal-organic framework.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14265-14271
7160328 CIFC18 H15 N O6 SP -18.2738; 9.7141; 10.3106
79.425; 83.465; 80.563
800.59Caletková, Oľga; Pinčeková, Lucia; Nováčiková, Jana; Gyepes, Róbert; Olejníková, Petra; Pôbiš, Peter; Kanďárová, Helena; Berkeš, Dušan
A novel 1-benzoazepine-derived Michael acceptor and its hetero-adducts active against MRSA.
Organic & biomolecular chemistry, 2024, 22, 9394-9402
7714836 CIFC6 H12 N4 O2P 1 21/n 17.8069; 5.75687; 17.86698
90; 94.2689; 90
800.773Lal, Sohan; Staples, Richard J.; Shreeve, Jean'ne M.
Nitroiminotriazole (NIT) based potential solid propellants: synthesis, characterization, and applications.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 903-907
7063476 CIFC5 H4 N8 O2P 1 21/n 16.3057; 9.752; 13.073
90; 94.8; 90
801.08Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei
Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton
New Journal of Chemistry, 2024, 48, 18120-18127
7716792 CIFC14 H22 O6 PdP 1 21/n 14.35329; 10.3794; 17.7657
90; 93.392; 90
801.33Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B
New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13662-13677
7132901 CIFC24 H14 N2 OP -17.6716; 9.16801; 12.73071
106.171; 91.1629; 109.967
801.64Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung
Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.
Chemical communications (Cambridge, England), 2024, 60, 4294-4297
2022967 CIF
HKL
Paper
C12 H27 Au Cl P SP 1 21 18.45319; 10.904; 8.7166
90; 93.583; 90
801.87Upmann, Daniel; Jones, Peter G.; Bockfeld, Dirk; Târcoveanu, Eliza
Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 34-49
7249453 CIFC12 H18 Cl N2 O2 P S2P -17.629; 7.6702; 14.1025
94.2128; 99.531; 98.0165
801.93Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
RSC Advances, 2024, 14, 32206-32220
1571105 CIFC16 H27 B O3P -16.7371; 9.7392; 13.4409
102.908; 102.707; 103.17
802.2Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
7132670 CIFC15 H18.8 N5 O2 PP -19.0435; 10.15596; 10.73364
108.653; 99.9637; 113.648
802.4Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.
Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.
Chemical communications (Cambridge, England), 2024, 60, 2629-2632
7159718 CIFC15 H24 O3P 15.2134; 9.7698; 15.9903
96.982; 91.685; 96.327
802.73Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
Two-step, high-yielding total synthesis of antibiotic pyrones.
Organic & biomolecular chemistry, 2024, 22, 554-560
7063479 CIFC6 H5 N7 O2P 1 21/c 16.3809; 10.3716; 12.1362
90; 91.201; 90
803Jin, Gan; Lei, Caijin; Cheng, Guangbin; Yang, Hongwei
Synthesis of novel insensitive heat-resistant explosives based on a fused-tricyclic skeleton
New Journal of Chemistry, 2024, 48, 18120-18127
2312596 CIF
HKL
Paper
C14 H10 Ba N2 O10P -17.3856; 8.408; 14.5603
75.415; 76.628; 68.377
803.76Ding, Xin Yu; Yu, Hai Yan; Zhang, Hong Tao; Wang, Xiao Long
A new three-dimensional barium(II) coordination polymer constructed from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structure, Hirshfeld surface analysis and properties.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7132743 CIFC17 H15 B F4 N2P 1 21 110.3062; 7.7018; 10.3247
90; 101.056; 90
804.326McDonald, Peter W.; Ritchie, Chris
A multi-chromic boron trifluoride-pyridyl Lewis adduct.
Chemical communications (Cambridge, England), 2024, 60, 3051-3054
7249021 CIFC15 H7 F4 I2 N OP 1 21 18.1546; 5.9866; 16.616
90; 97.011; 90
805.1Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7249355 CIFC7 H5 Br N4P b c m4.1492; 19.9564; 9.7232
90; 90; 90
805.11Maurya, Anand; Patel, Upendra Kumar; Kumar, Sanjeev; Agarwal, Alka
Molybdenum trioxide as a newer diversified economic catalyst for the transformation of nitroarenes to arylamine and 5-substituted-1H-tetrazole
RSC Advances, 2024, 14, 29505-29517
7249074 CIFC14 H16 N4 O6P -14.958; 11.3093; 14.6326
86.267; 81.573; 83.375
805.22Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang
Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids
CrystEngComm, 2024, 26, 4214-4222
7062997 CIFC18 H14 I N3 OP 17.2957; 7.4157; 15.3505
98.052; 101.391; 90.231
805.69Govdi, Anastasia I.; Danilkina, Natalia A.; Shtyrov, Andrey A.; Ryazantsev, Mikhail N.; Kim, Mia D.; Kryukova, Mariya A.; Balova, Irina A.
Cu-catalyzed cycloaddition of aryl azides to 1-iodobuta-1,3-diynes: an experimental and quantum chemical study of unusual regiochemistry
New Journal of Chemistry, 2024, 48, 4831-4845
7159907 CIFC18 H13 F3 N2 O SP -14.788; 10.509; 16.019
90.169; 91.422; 90.026
805.8Wang, Si-Yu; Liu, Chu; Yang, Wei; Tian, Zhong-Ying; Yuan, Lin; Xie, Long-Yong
Efficient synthesis of SCF<sub>3</sub>-containing 3-alkenylquinoxalinones <i>via</i> three-component radical cascade reaction.
Organic & biomolecular chemistry, 2024, 22, 3740-3745
7248637 CIFC8 H6 N2 O2 SeP 1 21/n 110.02071; 3.83488; 21.0716
90; 95.3939; 90
806.159Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7160117 CIFC10 H5 F9 O2 Se3P 1 21/m 15.5035; 14.3112; 10.2822
90; 95.415; 90
806.23Gao, Guiya; Xie, Keyi; Shi, Minghui; Gao, Tao; Wang, Zedong; Zhang, Congcong; Wang, Zhentao
Direct trifluoromethylselenolations of electron-rich (hetero)aromatic rings with <i>N</i>-trifluoromethylselenolating saccharin.
Organic & biomolecular chemistry, 2024, 22, 7707-7714
7717441 CIFK O4 P ZnP 6310.4679; 10.4679; 8.5012
90; 90; 120
806.73Zhao, Jiawei; Wei, Wei; Chen, Meihui; Chen, Yanna; An, Donghai
Syntheses, structures and characterization of noncentrosymmetric MZnPO<sub>4</sub> (M = K, NH<sub>4</sub>).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 19292-19298
7715049 CIFC13 H14 Cl2 N2 O2 Ru SP -18.616; 8.795; 11.944
97.23; 95.61; 114.26
807.3Pobłocki, Kacper; Jarzembska, Katarzyna N.; Kamiński, Radosław; Drzeżdżon, Joanna; Deresz, Krystyna A.; Schaniel, Dominik; Gołąbiewska, Anna; Gawdzik, Barbara; Rybiński, Przemysław; Jacewicz, Dagmara
Porous oligomeric materials synthesised using a new, highly active precatalyst based on ruthenium(III) and 2-phenylpyridine.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4194-4203
7063275 CIFC4 H14 Cl8 N2 SnP 1 21/m 110.1028; 7.1224; 11.7984
90; 108.009; 90
807.38Elghoul, Amal; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil
Crystal structure, semiconducting and photoluminescence (PL) properties of hybrid tin perovskite-like materials: [Cl–(CH2)2–NH3]2SnCl6 and [Cl–(CH2)2–NH3]2SnBr5.65Cl0.35
New Journal of Chemistry, 2024, 48, 12235-12245
7248763 CIFBr2.7 Cs I0.3 PbP n m a8.2876; 11.814; 8.2579
90; 90; 90
808.5Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen
Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr2.7I0.3
CrystEngComm, 2024, 26, 3162-3166
7248570 CIFC20 H14 N2 O6P -19.0499; 9.5985; 11.2088
64.656; 78.043; 66.903
808.51Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Bao-Zhong; Ma, Lu-Fang
Facile synthesis of a 2,5-dihydroxyterephthalic acid-based charge transfer cocrystal for photoelectric applications
CrystEngComm, 2024, 26, 2746-2750
7714902 CIFC12 H18 Au Cl N4 O5P 1 21/c 13.6946; 20.679; 10.734
90; 99.603; 90
808.59Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
7715309 CIFC18 H23 P SP -18.0974; 8.5354; 12.0938
83.001; 77.127; 89.041
808.73Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5711-5720
7714815 CIFC16 H15 Cl2 N3 O2 PtP -17.4848; 8.8709; 13.4498
73.384; 76.458; 73.499
809.04Liang, Chun-Jie; Wu, Run-Chun; Huang, Xiao-Qiong; Qin, Qi-Pin; Liang, Hong; Tan, Ming-Xiong
Synthesis and anticancer mechanisms of four novel platinum(II) 4'-substituted-2,2':6',2''-terpyridine complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2143-2152
7160102 CIFC18 H19 N O2 SP 1 21 110.0792; 7.919; 11.2172
90; 115.357; 90
809.07Yang, Xiaodong; Yang, Feng; Zhang, Xiaoya
Iodine-mediated decarboxylative coupling to synthesize β-sulfonyl-ene-amines/2,3-diarythio-pyrroles from α-amino acids and sodium sulfinates.
Organic & biomolecular chemistry, 2024, 22, 7321-7326
1573058 CIFBr Ga O7 Te3P 1 21/c 110.8789; 7.2613; 10.8143
90; 108.529; 90
809.99Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
7160104 CIFC6 H2 Br2 N2 SP 1 21/n 14.0454; 10.5096; 19.0866
90; 93.419; 90
810.03Ivanova, Yulia; Spittaels, Sander; Gao, Ling-Jie; Schols, Dominique; Van Meervelt, Luc; Froeyen, Mathy; Dehaen, Wim; De Jonghe, Steven
Synthesis and evaluation of isothiazolo[4,5-b]pyridines as cyclin G-associated kinase (GAK) inhibitors
Organic & Biomolecular Chemistry, 2024, 22, 7373-7389
7714867 CIFC12 H12 Ag2 N8 ZnP -4 21 c11.3668; 11.3668; 6.27238
90; 90; 90
810.42Lopresti, Mattia; Kurowski, Łukasz; Palin, Luca; Milanesio, Marco; Siedzielnik, Magdalena; Gutmańska, Karolina; Dobrenko, Adriana; Klimczuk, Tomasz; Pawelczyk, Ewelina; Dołęga, Anna
New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2833-2847
7248634 CIFC8 H6 N2 O2 SP 1 21/n 13.922; 17.4283; 11.878
90; 91.753; 90
811.53Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7159912 CIFC9 H18 B NR 3 :H10.5689; 10.5689; 8.3975
90; 90; 120
812.3Alexeev, Michael S.; Strelkova, Tatiana V.; Ilyin, Michael M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael G.; Khrustalev, Victor N.; Kuznetsov, Nikolai Yu
Amine adducts of triallylborane as highly reactive allylborating agents for Cu(I)-catalyzed allylation of chiral sulfinylimines.
Organic & biomolecular chemistry, 2024, 22, 4680-4696
1571381 CIFC5 H6 Cl2 Cu N4P n m a8.6664; 6.2964; 14.894
90; 90; 90
812.72Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7716047 CIFC17 H20 N2 O3 PtP -17.4545; 10.2906; 11.2348
79.217; 84.616; 74.004
813.02Benin, Alice; Kollar, Joshua Immanuel; Riesebeck, Tim; Wurl, Felix; Graiff, Claudia; Strassner, Thomas; Tubaro, Cristina
Synthesis and characterization of Pt(II) and Au(I) complexes with <i>N</i>-oxy-heterocyclic carbene ligands (NOHCs).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9323-9329
1571893 CIFC21 H22 O2P -18.11476; 10.472; 10.7595
67.728; 74.021; 82.9324
813.23Nicolai, Stefano; Waser, Jérôme
Lewis acid catalyzed [4+2] annulation of bicyclobutanes with dienol ethers for the synthesis of bicyclo[4.1.1]octanes.
Chemical science, 2024, 15, 10823-10829
2023061 CIF
Paper
C9 H21 Au Br3 P SeP -18.3928; 10.1417; 10.7567
94.419; 105.612; 110.113
813.34Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 355-369
7063270 CIFC4 H4 Cd N10P b c n7.9084; 10.8324; 9.4962
90; 90; 90
813.5Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan
Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability
New Journal of Chemistry, 2024, 48, 12697-12705
1571248 CIFC18 H22 N2 O3P -18.9869; 9.3453; 11.174
83.313; 81.185; 61.479
813.81Ma, Foqing; Li, Yunlong; Akkarasereenon, Kornkamon; Qiu, Huiying; Cheung, Yuen Tsz; Guo, Zhihong; Tong, Rongbiao
Aza-Achmatowicz rearrangement coupled with intermolecular aza-Friedel-Crafts enables total syntheses of uleine and aspidosperma alkaloids.
Chemical science, 2024, 15, 5730-5737
1571038 CIF
Paper
C30 H30 N6 O10 Zn2P -18.3549; 9.3366; 12.3971
69.409; 75.524; 65.217
815.89Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.
Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]
IUCrData, 2024, 9
1571700 CIFC8 H10 Cl N OP 1 21/c 14.8984; 15.8013; 10.8025
90; 102.614; 90
815.94Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing
High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions
Chemical Science, 2024, 15, 10046-10055
1573530 CIF
Paper
C34 H22 Fe N12 O2P -18.3617; 9.8067; 10.1251
100.206; 90.276; 90.5
817.08Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak
trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)
IUCrData, 2024, 9
1571104 CIFC16 H20 B Br O3P -16.1342; 8.6448; 16.04
74.401; 86.768; 89.349
817.9Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
Chemical science, 2024, 15, 3249-3254
2023259 CIF
Paper
C11 H17 N3 O8 S2P -15.8838; 11.6532; 12.3276
84.722; 78.442; 81.94
818.14Moroni, Aldana B.; Bottoso, Tiago; Lionello, Diego F.; Vega, Daniel R.; Kaufman, Teodoro S.; Calvo, Natalia L.
Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methylsulfate monohydrate
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7248193 CIFC3 H K N6 O6P 1 21/c 18.7186; 11.5384; 8.1605
90; 93.994; 90
818.94Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun
Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole
CrystEngComm, 2024, 26, 1730-1737
1571494 CIF
Paper
C17 H17 B I N3P -17.08; 10.6304; 11.065
89.715; 79.711; 89.598
819.37Hashimoto, Shu; Okuno, Tsunehisa
4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide
IUCrData, 2024, 9
2312523 CIF
HKL
Paper
C16 H31 Li N2P -16.316; 9.6925; 13.7463
97.336; 99.662; 93.52
819.83Erickson, Alexander N.; Haltiwanger, Curtis; Rahim, Masoumeh; Garner, Charles M.
Preferential crystallization of (±)-pinenyllithium·TMEDA.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 297-301
7133770 CIFC19 H17 N O2 SP -18.7535; 9.7512; 11.0588
108.448; 99.312; 107.231
820.53Malo, Sidhartha; Santra, Supriyo; Saha, Jayanta; Ghosh, Debashree; Das, Indrajit
External photocatalyst-free photocycloaddition between triplet vinylnitrenes with 1,3-biradical character and activated olefins under 420 nm LEDs.
Chemical communications (Cambridge, England), 2024, 60, 12545-12548
7247987 CIFC20 H12 O8 SP -18.175; 8.5487; 13.274
71.637; 81.162; 68.995
821.05Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.
Physical chemistry chemical physics : PCCP, 2024, 26, 4474-4479
7159936 CIFC18 H12 Cl2 N2 O3P -18.2481; 10.2725; 10.6752
68.739; 77.265; 87.293
821.66Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024, 22, 4108-4122
7715554 CIFC16 H18 Li2 O8P -16.442; 10.346; 12.498
99.32; 91.04; 90.12
821.8Petrus, Rafał; Kowaliński, Adrian; Lis, Tadeusz
Recycling primary lithium batteries using a coordination chemistry approach: recovery of lithium and manganese residues in the form of industrially important materials.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7450-7469
3000467 CIF
HKL
C12 H16 N4 O9 PdP -16.702; 9.832; 13.1889
95.501; 93.318; 107.373
822.17Pérez-Romero, Antonio; Cano-Muñoz, Mario; López-Chamorro, Carmen; Conejero-Lara, Francisco; Palacios, Oscar; Dobado, José A; Galindo, Miguel A
Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems.
Angewandte Chemie International Edition, 2024, 63, e202400261
1571817 CIFC19 H18 O4P -18.2353; 9.8484; 11.7427
82.241; 70.296; 66.512
822.33Wang, Han; Xun, Shan-Shan; Yu, Chang-Bin; Zhou, Yong-Gui
Palladium-catalyzed asymmetric hydrogenation of lactones under base-free conditions.
Chemical science, 2024, 15, 11038-11042
7716098 CIFC10 H12 S6 Si2P 1 21/c 16.6939; 7.9864; 15.384
90; 90.118; 90
822.4Youssef, Khalil; Poidevin, Corentin; Vacher, Antoine; Fihey, Arnaud; Le Gal, Yann; Roisnel, Thierry; Lorcy, Dominique
Radical and diradical states of bis(molybdenocene dithiolene) complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9763-9776
7716435 CIFC16 H17 As Mo O3P -17.6134; 7.7893; 14.8554
78.829; 88.971; 72.297
822.56Kirk, Ryan M.; HIll, Anthony F
σ-Arsolido complexes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11809-11829
7249456 CIFC13 H21 N2 O2 P S2P -15.8046; 10.7878; 13.3907
81.0002; 83.334; 89.276
822.58Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
RSC Advances, 2024, 14, 32206-32220
7715500 CIFC22 H36 B2 F8 Fe N18P -18.7981; 9.9945; 11.413
109.557; 99.3; 112.58
823.2Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert
Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7163-7174
7715310 CIFC18 H23 P SeP -18.1648; 8.5743; 12.161
82.479; 77.391; 89.456
823.5Dorow, Richard C. C.; Liebing, Phil; Görls, Helmar; Westerhausen, Matthias
Coordination chemistry of alkali metal dimesityl-thio- and dimesityl-selenophosphinites [(L)<sub>2</sub>A-EPMes<sub>2</sub>]<sub>2</sub> (A = Li, Na, K; E = S, Se; L = THF, THP) and [(18C6)K-SPMes<sub>2</sub>].
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5711-5720
7249484 CIFC21 H14 N4 O2P -17.3072; 10.6416; 12.3542
65.804; 74.301; 72.465
823.52Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip
Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator
RSC Medicinal Chemistry, 2024
7132683 CIFC21 H19 O PP -18.1143; 8.9827; 12.4136
94.652; 90.566; 113.742
824.6Gleim, Florian; Schnakenburg, Gregor; Ferao, Arturo Espinosa; Streubel, Rainer
Arbuzov meets 1,2-oxaphosphetanes: transient 1,2-oxaphosphetan-2-iums as an entry point to beta-halo phosphane oxides and P-containing oligomers.
Chemical communications (Cambridge, England), 2024, 60, 2625-2628
7160094 CIFC20 H15 N2 PP 1 21 16.0016; 11.876; 11.5703
90; 90.548; 90
824.64Wang, Xin; Luo, Hui; Yang, Bo; Li, Ming; Ma, Yong-Jun; Wang, Xi-Cun; Quan, Zheng-Jun
Synthesis of 1,2,4-diazaphospholes <i>via</i> base-promoted cyclization reaction of hydrazonoyl chlorides and [Bu<sub>4</sub>N][P(SiCl<sub>3</sub>)<sub>2</sub>].
Organic & biomolecular chemistry, 2024, 22, 7138-7142
2312429 CIF
HKL
Paper
C20 H14 N2 O4P -17.6186; 9.4985; 11.9173
105.38; 95.005; 93.78
824.78Balasubramanian, Hemalatha; Mariappan, Petchi Raman; Poomani, Kumaradhas
Crystal structure, intermolecular interactions, charge-density distribution and ADME properties of the acridinium 4-nitrobenzoate and 2-amino-3-methylpyridinium 4-nitrobenzoate salts: a combined experimental and theoretical study.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7716191 CIFC20 H26 Ga2 N6 O28 P2P -17.9866; 9.6052; 10.7764
89.094; 89.075; 87.698
825.82Li, Ying; Wang, Yulin; Cheng, Juan; Huang, Ling; Gao, Daojiang; Zou, Guohong; Zhao, Yan; Lin, Zhien
Two histidine-templated metal phosphate-oxalates: solvent-free synthesis, luminescence, and proton-conducting properties.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9675-9679
1571895 CIFC16 H18 N2 O5 S2P -18.2197; 9.7011; 11.5746
113.735; 92.388; 99.774
826.42Hua, Yong; Zou, Zhi; Prescimone, Alessandro; Ward, Thomas R.; Mayor, Marcel; Köhler, Valentin
NSPs: chromogenic linkers for fast, selective, and irreversible cysteine modification.
Chemical science, 2024, 15, 10997-11004
7714733 CIFC36 H46 N4 Ni O4P 17.9269; 10.0993; 11.2121
71.267; 81.256; 77.531
826.67Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.
Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1460-1468
7248838 CIFC16 H14 N O8.5 UP -18.8256; 9.8335; 10.6502
69.704; 77.981; 74.084
827.09Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre
4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes
CrystEngComm, 2024, 26, 3714-3725
7159823 CIFC9 H9 N O2P 1 21/c 17.2336; 10.6828; 10.9368
90; 101.791; 90
827.31Liu, Shuai; Liu, Xin; Zhang, Tian-Shu; Bao, Xiaoyu; Sheng, Xiaoyu; Qi, Zhenjie; Jiang, Dongfang
Electro-oxidative intermolecular C<sub>SP<sup>2</sup></sub>-H amination of heteroarenes <i>via</i> proton-coupled electron transfer.
Organic & biomolecular chemistry, 2024, 22, 2549-2553
7063010 CIFC14 H10 F6 N2 O6 ZnP 1 21/c 112.006; 9.9453; 7.2624
90; 106.908; 90
829.67Zhu, Xiaoshuang; Yang, Yanhong; Li, Bing; Liang, Jiawei; Fu, Shoufeng; Wu, Hongyan; He, Jiaxing; Chen, Xiaoyan
Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity
New Journal of Chemistry, 2024, 48, 4558-4564
1572276 CIFC22 H14 B2 Cl2P 1 21/c 113.331; 3.9432; 16.631
90; 108.334; 90
829.9Hollister, Kimberly K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J
Pentacyclic fused diborepinium ions with carbene- and carbone-mediated deep-blue to red emission.
Chemical science, 2024, 15, 14358-14370
7063484 CIFC2 H6 N6 O6P n m a10.3881; 15.7906; 5.0603
90; 90; 90
830.06Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
7714904 CIFC7 H12 N2 O3P 1 21/c 14.4336; 17.9129; 10.4981
90; 95.263; 90
830.23Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
7717302 CIFC36 H14 B2 F20 N4P -18.113; 9.814; 11.106
70.87; 85.776; 84.188
830.4Yeung, Jason; Yeganeh-Salman, Amir; Miao, Linkun; Stephan, Douglas W.
Reactions of 1,1- and 1,2-bis-boranes with a protic diamine and hydrazine.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18727-18735
7063200 CIFC16 H13 F3 N2 O4 SP -16.6963; 7.3887; 17.6221
80.201; 81.214; 76.968
831.08Baskar, Shyamvarnan; Kole, Goutam Kumar
3-Pyridylvinyl benzoxazole-derived multifunctional organic materials—from solid-state photoreactivity to photophysical and electrochemical properties
New Journal of Chemistry, 2024, 48, 10213-10225
7160184 CIFC20 H16 N O3P -19.5665; 9.9423; 10.1434
119.141; 91.334; 97.5234
831.17Prabhakaran, Mohan; Sanjana, Ramesh; Parthasarathy, Kanniyappan
Ruthenium-catalyzed Heck coupling of 3-arylidene-oxindoles with alkenes: a facile synthesis of 3-allylidene-2(3<i>H</i>)-oxindoles.
Organic & biomolecular chemistry, 2024, 22, 9348-9352
7062979 CIFC10 H18 Cl4 N4 PdP 1 21/n 18.6646; 8.0989; 12.187
90; 103.52; 90
831.5Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7159781 CIFC21 H19 N O3P -18.386; 8.637; 12.3414
103.452; 95.93; 103.91
831.78Chang, Meng-Yang; Lee, Yan-Ling
One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.
Organic & biomolecular chemistry, 2024, 22, 1646-1653
7249377 CIFC8 H4 I N O2P 21 21 214.9049; 7.0364; 24.1144
90; 90; 90
832.26Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc
N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin
CrystEngComm, 2024, 26, 6075-6081
7715716 CIFC10 H18 Ag2 N4 O10P 1 21 15.4739; 11.0228; 13.9383
90; 98.041; 90
832.74Kuzderová, Gabriela; Sovová, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilková, Mária; Kello, Martin; Liška, Alan; Vargová, Zuzana
Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10834-10850
7063357 CIFC28 H33 Cl Co N10 O4.5P 17.2172; 9.066; 13.516
89.015; 78.749; 73.93
832.8Wang, Taoyu; Peng, Yanhong; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li
Two chiral CoIII and NiII complexes with identical ligands presenting different nonlinear optical responses
New Journal of Chemistry, 2024, 48, 14292-14297
1573254 CIFC11 H15 Ag F6 N5 PP -18.9329; 9.2591; 11.0005
97.817; 98.36; 109.228
833.34Chen, Zhe; Ouyang, Laofeng; Wang, Ning; Li, Weikang; Ke, Zhuofeng
Remote C-H bond cooperation strategy enabled silver catalyzed borrowing hydrogen reactions.
Chemical science, 2024, 16, 163-170
2023138 CIF
Paper
C13 H12 Cd2 Cl4 N2P -16.8597; 10.8855; 12.8106
107.566; 100.523; 106.799
834.02Theppitak, Chatphorn; Laksee, Sakchai; Chainok, Kittipong
Synthesis, crystal structure and properties of poly[di-μ3-chlorido-di-μ2-chlorido-bis[4-methyl-N-(pyridin-2-ylmethylidene)aniline]dicadmium(II)]
Acta Crystallographica Section E Crystallographic Communications, 2024, 80
7063187 CIFC21 H14 Br N OP -18.6408; 9.9341; 10.3685
98.203; 101.166; 103.107
834.05Altia, Minakshi; Anbarasan, Pazhamalai
α-Hydroxydimethylacetal/ketal as an α-hydroxycarbonyl equivalent in interrupted Heyns/Amadori rearrangement: regioselective synthesis of substituted C2- and C3-acylindoles
New Journal of Chemistry, 2024, 48, 9981-9989
7248270 CIFC13 H15 Cl2 N5 O2 PbP -18.8359; 9.5857; 10.325
90.933; 92.085; 107.286
834.1Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Labisbal, Elena; Castiñeiras, Alfonso; Eftekhari-Sis, Bagher; Mahmoudi, Ghodrat; Sagan, Filip; Mitoraj, Mariusz P.; Safin, Damir A.
An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide
CrystEngComm, 2024, 26, 1252-1260
7716647 CIFC20 H11 F4 N3 O2 PdP -13.68882; 11.4296; 20.047
88.7087; 84.9983; 82.4843
834.71Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.
Synthesis and comparative study of (NHC<sub>F</sub>)PdCl<sub>2</sub>Py and (NHC<sub>F</sub>)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 12503-12518
7248924 CIFC20 H18 Br NP -16.8963; 10.2829; 12.8595
76.412; 83.264; 70.536
834.98Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine
CrystEngComm, 2024, 26, 3791-3794
7248440 CIFC16 H20 N6 O6P 1 21/n 14.804; 18.247; 9.818
90; 104; 90
835.1Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won
A highly stable hydrogen-bonded organic framework for hydrogen storage
CrystEngComm, 2024, 26, 2342-2345
7249455 CIFC13 H20 N2 Ni0.5 O2 P S2P -18.2171; 9.9942; 11.1612
113.611; 93.655; 92.926
835.21Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
RSC Advances, 2024, 14, 32206-32220
1572913 CIFC7 H10 Cl N O2P -17.7469; 9.1814; 13.0548
82.272; 80.701; 66.1
835.32Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Dichlorine-pyridine <i>N</i>-oxide halogen-bonded complexes.
Chemical science, 2024, 15, 18840-18845
2312500 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120
835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312501 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120
835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7249454 CIFC12 H17 Cl N2 Ni0.5 O2 P S2P -17.8502; 10.1868; 11.6914
113.275; 97.462; 97.123
835.66Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane
Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes
RSC Advances, 2024, 14, 32206-32220
1571379 CIFC5 H6 Cl2 Cu N4P n m a8.71; 6.292; 15.26
90; 90; 90
836.3Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7248613 CIFC12 H22 Cl2 Cu S2P -18.7545; 10.0042; 11.2498
64.22; 70.764; 82.779
837.5Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.
Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties
CrystEngComm, 2024, 26, 2953-2975
7132809 CIFC20 H22 O2P 1 21 18.546; 6.518; 15.6
90; 105.428; 90
837.7Magham, Lakshmi Revati; Samad, Abdus; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
Organocatalytic enantioselective desymmetrization of enal-tethered cyclohexane-1,3-diones.
Chemical communications (Cambridge, England), 2024, 60, 3834-3837
7247893 CIFC28 H26 Cu F6 N8 O8 S2P -16.8471; 7.8394; 16.1936
77.929; 85.53; 80.67
837.89Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.
Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers
CrystEngComm, 2024, 26, 504-516
7063211 CIFC20 H23 N O2P -18.0745; 10.6294; 11.2471
102.303; 109.671; 103.453
838.09Huang, Haowen; Cao, Yasong; Zhao, Zhonghua; Xu, Jiatong; Zeng, Cheng; Shen, Richao; Lv, Jiawei; Lei, Ziqiang; Ma, Hengchang
Functionalized tails influence photoluminescence emissions for advanced applications in the fiel of time-resolved information input and erasure
New Journal of Chemistry, 2024, 48, 10748-10755
7248561 CIFC18 H23 N2 O3P -19.2975; 10.1675; 10.6317
73.401; 64.496; 69.395
838.3Rebbah, Bahija; El Haib, Abderrahim; Lahmady, Sara; Forsal, Issam; Gouygou, Maryse; Mallet-Ladeira, Sonia; Medaghri-Alaoui, Abdelouahid; Rakib, El Mostapha; Hannioui, Abdellah
Synthesis, characterization, and inhibition effects of a novel eugenol derivative bearing pyrrole functionalities on the corrosion of mild steel in a HCl acid solution.
RSC advances, 2024, 14, 14152-14160
7247901 CIFC21 H12 Br2 N2P 1 21 13.8778; 12.9392; 16.735
90; 92.968; 90
838.56Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu
Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines
Green Chemistry, 2024, 26, 1329-1337
2023169 CIF
Paper
C14 H18 Au2 Cl2 N2P -16.7718; 8.5627; 15.1064
105.356; 90.788; 96.311
838.71Döring, Cindy; Jones, Peter G.
Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 729-737
7159965 CIFC16 H20 O3 S2P -17.4509; 8.5535; 13.4726
87.055; 83.603; 79.582
838.78Rana, Shally; Shaw, Ranjay; Pratap, Ramendra
Influence of steric hindrance on the 1,4- <i>versus</i> 1,6-Michael addition: synthesis of furans and pentasubstituted benzenes.
Organic & biomolecular chemistry, 2024, 22, 5361-5373
1570857 CIFC9 H14 O3P 21 21 215.3341; 7.7048; 20.413
90; 90; 90
838.9Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo
cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer
Polymer Chemistry, 2024, 15, 1070-1076
7249127 CIFC7 H10 O4 PP 1 21/c 114.8893; 6.2149; 9.0927
90; 93.663; 90
839.68Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.
Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
CrystEngComm, 2024, 26, 4643-4648
7714901 CIFC6 H12 N2 O4P 1 21/c 14.8157; 17.5289; 10.0642
90; 98.656; 90
839.88Mahdavi, Seyedeh Mahbobeh; Bockfeld, Dirk; Büssing, Rolf; Karge, Bianka; Bannenberg, Thomas; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Synthesis of N-heterocyclic carbene gold(I) complexes from the marine betaine 1,3-dimethylimidazolium-4-carboxylate.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1942-1946
7247983 CIFC20 H18 Hg2 I6 N8 O4P -18.0015; 9.2079; 12.4641
98.279; 100.092; 108.027
840.2Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza
A strategy for obtaining isostructurality despite structural diversity in coordination compounds
CrystEngComm, 2024, 26, 543-556
7248925 CIFC40 H40 Br2 N2 O2P -19.6895; 9.7559; 10.9467
97.487; 105.034; 118.199
840.99Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine
CrystEngComm, 2024, 26, 3791-3794
7160156 CIFC11 H12 O2P c a 2111.3077; 7.308; 10.179
90; 90; 90
841.16Bonner, Arlene; Baumann, Marcus
Continuous flow synthesis of the antiviral drug tecovirimat and related sp<sup>3</sup>-rich scaffolds.
Organic & biomolecular chemistry, 2024, 22, 8323-8327
7716712 CIFC17.99 H18 N4 O3 SP -16.9321; 7.3574; 18.068
95.58; 97.514; 111.201
841.3Singh, Pushpendra; Sadhu, Kalyan K.
Dual role of arsenite in hydrolysis and post-hydrolysis fluorescence sensing of selective pH-dependent probes.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 13950-13959
7159934 CIFC18 H12 F2 N2 O6P -17.8953; 10.688; 10.9838
68.919; 77.025; 82.949
841.85Chang, Meng-Yang; Ho, Chin-Huey; Chen, Hsing-Yin
K<sub>2</sub>CO<sub>3</sub>-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles.
Organic & biomolecular chemistry, 2024, 22, 4108-4122
7716016 CIFC6 H7 Cd Cl2 N OP 21 21 213.8327; 13.3752; 16.4327
90; 90; 90
842.39Zhang, Yan; Li, Yu-Xia; Gao, Kai-Ge; Zhang, Jia-Hui; Hu, Jie-Sheng; Tao, Jun; Yao, Zi-Shuo
An elastic single crystal composed of one-dimensional chiral coordination polymers.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8905-8909
7160215 CIFC8 H6 N4 SP 21 21 214.6262; 10.7086; 17.0055
90; 90; 90
842.45Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7249045 CIFC30 H24 Br4 N8 O2 Pb2P -17.7597; 9.1203; 12.5054
102.924; 97.329; 97.611
843.6Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel
1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)
RSC Advances, 2024, 14, 22006-22016
7132549 CIFC19 H14 N O P SP -18.385; 10.473; 10.511
109.339; 92.044; 102.717
843.7Sun, Guangping; Li, Menghang; Cai, Lijuan; Zhu, Jinli; Tang, Yanfeng; Yao, Yong
Carbazole-based artificial light-harvesting system for photocatalytic cross-coupling dehydrogenation reaction.
Chemical communications (Cambridge, England), 2024, 60, 1412-1415
7063524 CIFB5 H K O9 RbP c a 218.5736; 7.5326; 13.072
90; 90; 90
844.2Ababaikeri, Aihaimaitijiang; Pan, Xueting; Hou, Xueling; Han, Jian
K, Rb-hydroxyborates series with deep-ultraviolet KRbB5O8(OH) possessing moderate second harmonic generation response
New Journal of Chemistry, 2024, 48, 19501-19507
2023307 CIF
HKL
Paper
C4 H20 Br6 N4 ZnP 1 21/m 16.394; 19.838; 6.668
90; 93.18; 90
844.5Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 738-745
2312567 CIF
Paper
C16 H19 B F4 N2 O2P -17.107; 9.5381; 13.3592
98.765; 98.034; 105.977
844.555Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7132506 CIFC30 H48 F6 N2 O6 S2P -16.6145; 8.4668; 15.3473
88.298; 79.536; 88.611
844.68Nayak, Mithilesh Kumar; Elvers, Benedict J.; Mehta, Sakshi; Krummenacher, Ivo; Mondal, Abhishake; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul
Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.
Chemical communications (Cambridge, England), 2024, 60, 1739-1742
2023013 CIF
HKL
Paper
C12 H26 Au2 Cl2 N2P -19.6998; 9.7001; 10.7194
102.218; 101.893; 114.695
844.89Döring, Cindy; Jones, Peter G.
Crystal structures of five gold(I) complexes with methyl-piperidine ligands.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 157-165
7063130 CIFC16 H20 N2 O6C 1 2 16.4358; 8.0804; 16.438
90; 98.198; 90
846.1Bakija, Marija; Perić, Berislav; Kirin, Srećko I.
Oxazoline amino acid bioconjugates: one-pot synthesis and analysis of supramolecular interactions
New Journal of Chemistry, 2024, 48, 8702-8719
7062978 CIFC6 H9 N6 O2P n m a14.1035; 6.3113; 9.5102
90; 90; 90
846.52Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
New Journal of Chemistry, 2024, 48, 3467-3471
7249013 CIFC13 H5 F3 I3 N O SP -19.1407; 9.6712; 10.5728
83.925; 86.217; 65.675
846.64Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
7716015 CIFC6 H7 Cd Cl2 N OP 21 21 213.8401; 13.4023; 16.4598
90; 90; 90
847.12Zhang, Yan; Li, Yu-Xia; Gao, Kai-Ge; Zhang, Jia-Hui; Hu, Jie-Sheng; Tao, Jun; Yao, Zi-Shuo
An elastic single crystal composed of one-dimensional chiral coordination polymers.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 8905-8909
7714768 CIFC7 H7 Co0.75 Fe0.25 N O6C 1 2/c 19.9048; 11.9887; 7.3971
90; 105.309; 90
847.21Hou, Juan-Juan; Liu, Huan; Wang, Ting; Tian, Bao-Qiang; Yang, Yang; Zhang, Xian-Ming
Surface defect-engineered Fe doping in layered Co-based complex as highly efficient bifunctional electrocatalysts for overall water splitting.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1245-1252
7714767 CIFC7 H7 Co0.59 Fe0.41 N O6C 1 2/c 19.908; 12.0043; 7.3977
90; 105.336; 90
848.54Hou, Juan-Juan; Liu, Huan; Wang, Ting; Tian, Bao-Qiang; Yang, Yang; Zhang, Xian-Ming
Surface defect-engineered Fe doping in layered Co-based complex as highly efficient bifunctional electrocatalysts for overall water splitting.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 1245-1252
1572240 CIFC22 H13 Br O SP 1 21 19.0211; 8.9321; 11.4528
90; 113.132; 90
848.64Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong
Catalytic asymmetric functionalization and dearomatization of thiophenes.
Chemical science, 2024, 15, 14295-14303
2312485 CIF
Paper
C14 H18 N4 O9P -114.6803; 8.8743; 6.9537
106.922; 96.304; 97.55
848.64Guerain, Mathieu; Chevreau, Hubert; Guinet, Yannick; Paccou, Laurent; Elkaïm, Erik; Hédoux, Alain
Relationship between synthesis method-crystal structure-melting properties in cocrystals: the case of caffeine-citric acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
7248328 CIFC14 H13 B F3 N O4 S SiP -16.526; 10.55; 13.1827
101.774; 90.259; 106.776
848.76Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz
Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents
RSC Medicinal Chemistry, 2024
2312404 CIF
Paper
Cd2 H O5 PI 1 2/a 112.4307; 6.691; 10.7087
90; 107.506; 90
849.43Eder, Felix; Weil, Matthias
Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 207-212
1571403 CIFC21 H16 Br N O3P 1 21 19.5671; 6.22015; 14.7354
90; 104.31; 90
849.68Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Chemical science, 2024, 15, 6924-6933
7133439 CIFC22 H15 F N2P -18.757; 9.973; 11.506
103.314; 100.861; 113.664
850Zhou, Honggui; Li, Zhefeng; Chen, Juehong; Zhou, Si; Wang, Xinyu; Zhang, Linwei; Chen, Jiuxi; Lv, Ningning
Synthesis of polysubstituted pyridazines <i>via</i> Cu-mediated C(sp<sup>3</sup>)-C(sp<sup>3</sup>) coupling/annulation of saturated ketones with acylhydrazones.
Chemical communications (Cambridge, England), 2024, 60, 9546-9549
7247988 CIFC21 H9 F3 O6 SP -15.7811; 12.0613; 12.5328
100.454; 90.274; 98.211
850.14Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.
Physical chemistry chemical physics : PCCP, 2024, 26, 4474-4479
7249375 CIFC18 H9 Co N4 O8P -18.5279; 9.8241; 11.5691
110.011; 94.217; 107.725
850.22Tian, Zhengfang; Yang, Shun-Yi; Zhu, Junlun; Ruan, Zhijun; Shao, Dong
Topological and magnetic regulation in three cobalt(ii) coordination polymers constructed using a mixed bipyrimidine–tetracarboxylate strategy
CrystEngComm, 2024, 26, 5933-5940
7248639 CIFC8 H6 N2 O2 SeP 1 21/n 13.97381; 6.41163; 33.4053
90; 92.357; 90
850.4Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
CrystEngComm, 2024, 26, 2918-2927
7715689 CIFC12 H18 N4 Ni2 S4P -18.2002; 9.6581; 10.9978
94.226; 93.767; 100.803
850.43Quiroz, Manuel; Jana, Manish; Liu, Kaiyang; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.
Site specific redox properties in ligand differentiated di-nickel complexes inspired by the acetyl CoA synthase active site.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7414-7423
1571949 CIFC19 H19 Br O3P -18.0674; 10.0413; 11.4509
90.265; 105.787; 106.88
850.63Arnold, Robert E.; Saska, Jan; Mesquita-Ribeiro, Raquel; Dajas-Bailador, Federico; Taylor, Laurence; Lewis, William; Argent, Stephen; Shao, Huiling; Houk, Kendall N.; Denton, Ross M.
Total synthesis, biological evaluation and biosynthetic re-evaluation of <i>Illicium</i>-derived neolignans.
Chemical science, 2024, 15, 11783-11793
7133287 CIFC30 H22 Co N12 O6 S4P -17.7485; 10.1105; 12.1657
103.064; 92.24; 112.226
851.18Shekhawat, Bhawana; Gahlaut, Puneet Singh; Gautam, Deepak; Jana, Barun
<i>N</i>-Alkylation of amines with primary/secondary alcohols using a novel cobalt(II) inverse triazolyl-pyridine complex.
Chemical communications (Cambridge, England), 2024, 60, 8581-8584
2312623 CIFC6 H28 Co N6 O8.5 V2P -18.6226; 8.9645; 12.8206
81.491; 71.357; 65.064
851.36Vosegaard, Emilie Skytte; Mamakhel, Mohammad Aref Hasen; Parmar, Vijay Singh; Bertelsen, Andreas Dueholm; Iversen, Bo Brummerstedt
Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)<sub>3</sub>](V<sub>4</sub>O<sub>13</sub>)·4H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 488-494
7249605 CIFC7 H13 Cl2 NC m c 217.0792; 10.8984; 11.037
90; 90; 90
851.53Hardin, Maison; Zeller, Matthias; Rosokha, Sergiy V.
Complexes of N-chloroquinuclidinium with chloride: strong halogen bonding via chlorine atoms
CrystEngComm, 2024, 26, 6784-6788
7716951 CIFC26 H24 N12 O19P -18.217; 9.115; 12.762
87.69; 75.875; 67.078
852.1Yu, Qiong; Chen, Yu-Cong; Guo, Zihao; Li, Tao; Liu, Zunqi; Yi, Wenbin; Staples, Richard J.; Shreeve, Jean'ne M.
Energetic derivatives substituted with trinitrophenyl: improving the sensitivity of explosives.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 18467-18472
1570805 CIFC18 H15 N3 O6 SP -19.1825; 9.2868; 10.5049
91.395; 104.674; 99.577
852.44Lv, Youming; Ye, Hebo; You, Lei
Multiple control of azoquinoline based molecular photoswitches.
Chemical science, 2024, 15, 3290-3299
7248845 CIFC32 H20 Cl4 F6 N4 Ni S2P -17.5146; 10.6915; 12.0434
103.512; 103.72; 106.57
852.48Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz
Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors
CrystEngComm, 2024, 26, 3627-3633
1571383 CIFC6 H7 Cl2 Cu N3P 1 21/n 18.3731; 10.9315; 9.5637
90; 103.022; 90
852.86Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7248835 CIFC15 H19 N O8 UP -18.4357; 10.8597; 10.93
107.615; 98.577; 110.983
852.93Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre
4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes
CrystEngComm, 2024, 26, 3714-3725
7133163 CIFC18 H22 N2 O4P -19.5021; 9.6751; 10.0293
77.914; 71.586; 89.936
853.33Shi, Lin; Liu, Lidong; Lei, Xingyu; Wang, Yihan; Fang, Yeguang; Jiao, Peng
Dearomative pyrrole (3+2) reaction with geminal bromonitroalkane: synthesis of 2,3-dihydropyrroles.
Chemical communications (Cambridge, England), 2024, 60, 6953-6956
1571701 CIFC8 H10 Br N OP 1 21/c 14.9287; 16.2486; 10.9152
90; 102.485; 90
853.47Zhou, Lei; Li, Kailei; Chang, Yuanyuan; Yao, Yuan; Peng, Yuqi; Li, Ming; He, Rongxing
High-efficiency color-tunable ultralong room-temperature phosphorescence from organic–inorganic metal halides via synergistic inter/intramolecular interactions
Chemical Science, 2024, 15, 10046-10055
2312413 CIF
Paper
C18 H16 Cl2 N2 O2P -18.22057; 8.53211; 13.08729
103.948; 101.905; 98.06
854.086Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 184-190
7715046 CIFC8 H5 Cl2 N3P 1 21/c 17.4877; 8.2215; 14.134
90; 100.951; 90
854.25Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich
Cobalt(III)-containing penta-dentate "helmet"-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3836-3854
7716011 CIFC17 H12 Cl N4 O3 ReP 1 n 17.4855; 8.576; 13.7433
90; 104.06; 90
855.83Vanucci-Bacqué, Corinne; Wolff, Mariusz; Delavaux-Nicot, Béatrice; Abdallah, Abanoub Mosaad; Mallet-Ladeira, Sonia; Serpentini, Charles-Louis; Bedos-Belval, Florence; Fong, Kar Wai; Ng, Xiao Ying; Low, May Lee; Benoist, Eric; Fery-Forgues, Suzanne
1,2,3-Triazol-5-ylidene- <i>vs.</i> 1,2,3-triazole-based tricarbonylrhenium(I) complexes: influence of a mesoionic carbene ligand on the electronic and biological properties.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11276-11294
7132855 CIFC21 H18 O4P -18.487; 10.1115; 10.5324
91.975; 93.296; 108.179
856.01Gopalakrishnan, Dinesh Kumar; Bhardwaj, Srashti; Kumar, Sandeep; Karmakar, Tarak; Vaitla, Janakiram
Carbene-mediated stereoselective olefination of vinyl sulfoxonium ylides with diazo compounds and acetals.
Chemical communications (Cambridge, England), 2024, 60, 3846-3849
7160159 CIFC8 H8 N2 O SP 1 21/c 15.0399; 15.0255; 11.3318
90; 93.975; 90
856.06Zhang, Mengcheng; Chen, Yuying; Yan, Xiaoyu; Zhang, Yonggang; Ma, Xiantao
Synthesis of hydroxy-thiazoline substituted pyridine derivatives <i>via</i> [3 + 2] annulation of 1,4-dithiane-2,5-diol with cyanopyridine.
Organic & biomolecular chemistry, 2024, 22, 8511-8515
7133739 CIFC23 H17 N3P -19.185; 10.136; 10.439
80.364; 67.002; 73.546
856.2Cao, Penghui; Fan, Guangping; Zhao, Xiaofei; Ren, Xinyu; Wang, Yuru; Wang, Yuying; Gao, Qinghe
Regioselective synthesis of 3,4-diarylpyrimido[1,2-<i>b</i>]indazole derivatives enabled by iron-catalyzed ring-opening of styrene oxides.
Chemical communications (Cambridge, England), 2024, 60, 11742-11745
1571674 CIF
Paper
C8 H7 I O3P 1 21/c 14.3286; 21.334; 9.2941
90; 93.744; 90
856.4Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.
Methyl 2-hydroxy-4-iodobenzoate
IUCrData, 2024, 9
7249418 CIFC20 H22 O4P -17.4776; 9.1826; 12.9115
83.847; 78.595; 81.772
857.25Chiu, Wei-Jung; Sun, Chung-Ming
Electrochemistry-enabled Rh-catalyzed regioselective [4 + 1] and [4 + 2] cycloaddition of benzoic acid with alkynyl esters/amides
Green Chemistry, 2024, 26, 10996-11002
2023266 CIF
Paper
C24 H54 Au2 Cl4 P2 S2P -18.5541; 9.155; 12.0421
107.427; 97.511; 102.841
857.31Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)
Acta Crystallographica Section E Crystallographic Communications, 2024, 80, 1087-1096
7716356 CIFC21 H14 B F2 N3 O2P -17.786; 10.093; 11.219
87.523; 85.753; 77.44
857.8Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
Synthesis and studies of covalently linked (BODIPY)<sub>2</sub>-3-pyrrolyl BODIPY triads.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11543-11555
7249022 CIFC15 H7 F3 I3 N OP -19.1993; 9.7631; 10.5954
84.563; 85.979; 65.091
858.73Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
1570766 CIFC22 H15 N O3 SP -18.9045; 10.4068; 11.071
63.033; 71.405; 75.259
859.28Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin
Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.
Chemical science, 2024, 15, 2827-2832
1571384 CIFC5 H6 Cl2 Cu N4P 1 21/n 18.4622; 10.6392; 9.6678
90; 99.036; 90
859.6Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7715574 CIFC20 H16 F2 N2 O2 SnP -17.7896; 9.5538; 13.4786
70.205; 75.54; 66.973
860.61Wu, Andrew; Hillesheim, Patrick C.; Nelson, Peter N.; Zeller, Matthias; Carignan, Gia; Li, Jing; Ki, Daniel W.
New type of tin(IV) complex based turn-on fluorescent chemosensor for fluoride ion recognition: elucidating the effect of molecular structure on sensing property.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 6932-6940
7160214 CIFC8 H6 N4 SC 1 c 15.4747; 15.4161; 10.5241
90; 104.253; 90
860.88Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7716192 CIFC36 H30 Cl4 O2 P2 TiP -19.4279; 9.5623; 10.3638
102.086; 108.255; 92.847
860.92Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9862-9873
7159818 CIFC18 H24 O7P 17.856; 9.6968; 12.0012
70.998; 85.037; 87.512
861.06Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli
Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.
Organic & biomolecular chemistry, 2024, 22, 2271-2278
7715394 CIFC43 H45 Al N2P 19.7049; 10.1111; 10.2297
96.732; 103.215; 114.685
861.88Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo
NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 5932-5946
7715715 CIFC10 H18 Ag2 N4 O12P 1 21 15.5261; 11.2082; 14.0565
90; 97.992; 90
862.17Kuzderová, Gabriela; Sovová, Simona; Rendošová, Michaela; Gyepes, Róbert; Sabolová, Danica; Kožárová, Ivona; Balážová, Ľudmila; Vilková, Mária; Kello, Martin; Liška, Alan; Vargová, Zuzana
Influence of proline and hydroxyproline as antimicrobial and anticancer peptide components on the silver(I) ion activity: structural and biological evaluation with a new theoretical and experimental SAR approach.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 10834-10850
2023308 CIF
HKL
Paper
C4 H20 Br6 N4 ZnP 1 21/m 16.438; 19.945; 6.726
90; 93.16; 90
862.3Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>]<sub>2</sub>[ZnBr<sub>4</sub>]Br<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 738-745
7248461 CIFC10 H18P -18.2602; 10.5243; 11.9532
113.547; 90.225; 112.687
863.42Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7716964 CIFC4 H12 K O4 PP 1 21/c 113.6615; 9.207; 7.0197
90; 101.967; 90
863.76Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy
Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 14399-14410
7249172 CIFC17 H18 N6 O5P 1 21 17.1764; 13.7285; 9.1307
90; 106.208; 90
863.81Kocek, Hugo; Chalupská, Dominika; Dejmek, Milan; Dvořáková, Alexandra; Zgarbová, Michala; Šála, Michal; Chalupský, Karel; Krafčíková, Petra; Otava, Tomáš; Drexler, Matus; Procházková, Eliška; Klepetářová, Blanka; Štefek, Milan; Kozic, Ján; Mertlíková-Kaiserová, Helena; Boura, Evzen; Weber, Jan; Nencka, Radim
Discovery of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors based on adenosine 5′-carboxamides
RSC Medicinal Chemistry, 2024
1572007 CIFC46 H50P -15.4401; 9.123; 17.9486
101.504; 95.881; 94.474
863.86Guo, Jianwen; Du, Fangxin; Yu, Bo; Du, Pengcheng; Li, Haoyuan; Zhang, Jianhua; Xin, Hanshen
Heptacyclic aromatic hydrocarbon isomers with two azulene units fused.
Chemical science, 2024, 15, 12589-12597
7249582 CIFC5 H10 N2 O4 ReP n m a12.086; 8.5629; 8.349
90; 90; 90
864Novikov, Anton P.; Sitanskaia, Anastasiia V.; Volkov, Mikhail A.; Nevolin, Iurii M.; Grigoriev, Mikhail S.
Intermolecular non-covalent interactions in the organic perrhenates crystal structures: from theory to practice
CrystEngComm, 2024, 26, 6640-6649
7063482 CIFC2 N6 O4 Rb2P b c n10.05; 9.42575; 9.12606
90; 90; 90
864.5Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming
Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
New Journal of Chemistry, 2024, 48, 18014-18021
7160213 CIFC8 H6 N4 SP 1 21/n 18.1698; 5.5451; 19.2296
90; 97.039; 90
864.58Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
2023053 CIF
Paper
C11 H25 Au Cl3 P SP -18.6034; 9.7779; 11.4231
78.876; 71.456; 72.702
864.7Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 355-369
7133616 CIFC16 H16 Cl I O4P -18.2223; 10.3432; 11.023
93.878; 97.956; 110.091
865.22Zhu, Shaoqun; Jia, Lizi; Cheng, Qi; Han, Ying; Sun, Qiu; Yu, Huaguang; Chen, Xiaoyun; Hou, Hong
Dispersion-induced cooperative hydrogen atom transfer for radical iodoalkylation.
Chemical communications (Cambridge, England), 2024, 60, 10772-10775
7248454 CIFC10 H18P -18.2634; 10.5357; 11.9616
113.547; 90.218; 112.694
865.27Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7063095 CIFC23 H15 N3 OP -18.44882; 8.76255; 13.5212
92.2891; 107.07; 113.235
865.37Ali, Irshad; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar
Intermolecular hydrogen bonding-assisted aggregation induced emission in quinolone–quinazoline conjugates and their potential use in acidochromism
New Journal of Chemistry, 2024, 48, 6943-6953
7248457 CIFC10 H18P -18.2635; 10.5367; 11.9622
113.553; 90.215; 112.692
865.38Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
2312376 CIF
HKL
Paper
C10 H8 N2 O2P 1 21/c 14.7332; 14.6353; 12.5289
90; 94.037; 90
865.75Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
7716271 CIFC13.05 H15.05 Ca2 N O12P -19.2135; 10.112; 10.455
96.156; 98.994; 113.548
866.3Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim
Construction of a series of pH stable Ca-based MOFs, their CO<sub>2</sub> adsorption and catalytic activity.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 11120-11132
1573062 CIFAl2 Cl O9 Te3P c a 2115.5617; 6.8243; 8.1594
90; 90; 90
866.51Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
7249562 CIFC18 H15 Cl N2 O2 SP -19.4627; 9.6608; 11.0027
107.81; 110.578; 96.95
866.57Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen
Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles
RSC Advances, 2024, 14, 35585-35600
7248458 CIFC10 H18P -18.2665; 10.5475; 11.9704
113.554; 90.201; 112.704
867.12Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248452 CIFC10 H18P -18.2665; 10.5488; 11.9705
113.55; 90.196; 112.709
867.25Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248773 CIFC16 H14 N3 O5 ReP -18.1187; 9.2533; 11.835
92.174; 102.111; 92.651
867.35Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.
Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics
RSC Advances, 2024, 14, 18080-18092
2023170 CIF
Paper
C14 H18 Au2 Br2 N2P -16.8343; 8.6676; 15.4049
105.72; 90.741; 98.242
868.05Döring, Cindy; Jones, Peter G.
Crystal structures of four gold(I) complexes [Au<i>L</i> <sub>2</sub>]<sup>+</sup>[Au<i>X</i> <sub>2</sub>]<sup>-</sup> and a by-product (<i>L</i>·<i>L</i>H<sup>+</sup>)[AuBr<sub>2</sub>]<sup>-</sup> (<i>L</i> = substituted pyridine, <i>X</i> = Cl or Br).
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 729-737
2023014 CIF
HKL
Paper
C12 H26 Au2 Br2 N2P -19.8461; 9.7728; 10.9461
100.136; 103.685; 116.287
868.58Döring, Cindy; Jones, Peter G.
Crystal structures of five gold(I) complexes with methyl-piperidine ligands.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 157-165
7248468 CIFC10 H18P -18.2699; 10.5607; 11.9762
113.534; 90.179; 112.733
869Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7132870 CIFC19 H17 Cl N2 O4P -19.6699; 9.6753; 10.4512
76.908; 71.347; 71.318
869.2Porashar, Bikoshita; Behera, Bipin Kumar; Phukon, Hunmoina; Saikia, Anil K.
Synthesis of tetrahydroquinazolines from 2-aminobenzonitriles and alkylidene malonates <i>via</i> 1,4-conjugate addition and an unprecedented rearrangement reaction.
Chemical communications (Cambridge, England), 2024, 60, 4358-4361
7248367 CIFC8 H5 Br2 NP n m a13.7185; 7.2021; 8.8003
90; 90; 90
869.5Kupietz, Kamil; Gomila, Rosa M.; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael
Shortening CN⋯Br–Csp3 halogen bonds via π-stacking
CrystEngComm, 2024, 26, 2131-2135
1570764 CIFC22 H15 N O3 SP -18.9567; 10.129; 11.0747
115.736; 95.407; 101.18
869.6Shi, Zhaojiang; Dong, Shicheng; Liu, Ting; Wang, Wei-Zhen; Li, Nan; Yuan, Yaofeng; Zhu, Jun; Ye, Ke-Yin
Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides.
Chemical science, 2024, 15, 2827-2832
7248469 CIFC10 H18P -18.2712; 10.5654; 11.9798
113.539; 90.16; 112.747
869.69Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7133839 CIFC20 H23 N O4P -15.8883; 10.8918; 14.0443
75.094; 88.484; 89.578
870.1Dhake, Kushal; Woelk, Kyla J.; Krueckl, Liam D. N.; Alberts, Faith; Mutter, James; Pohl, Matthew O.; Thomas, Gilian T.; Sharma, Muskan; Bjornerud-Brown, Jaelyn; Fernández, Nahiane Pipaón; Schley, Nathan D.; Leitch, David C.
Diastereoselective dearomative cycloaddition of bicyclobutanes with pyridinium ylides: a modular approach to multisubstituted azabicyclo[3.1.1]heptanes.
Chemical communications (Cambridge, England), 2024, 60, 13008-13011
7249651 CIFC20 H24 Fe4 Mo4 N4 O20P -17.0109; 9.4488; 14.183
106.746; 90.909; 103.745
870.3Li, Xin; Zu, Mohan; Yan, Linzhuo; Zhao, Qiang; Liu, Liu
Synthesis of a highly stable Mo–Fe bimetallic metal–organic framework and its catalytic activity for the selective oxidation of sulfides under mild conditions
RSC Advances, 2024, 14, 38002-38008
7160216 CIFC8 H6 N4 SP 21 21 215.9619; 8.0466; 18.143
90; 90; 90
870.37Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
Organic & biomolecular chemistry, 2024, 23, 207-212
7132906 CIFC23 H16 N2 OP -18.22512; 10.0169; 12.1195
104.088; 101.613; 109.165
870.66Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung
Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.
Chemical communications (Cambridge, England), 2024, 60, 4294-4297
7716854 CIFC6 H2 F3 N5 O3P 1 21/c 115.776; 7.3324; 7.5674
90; 95.769; 90
870.93Kumar, Parasar; Mathpati, Ramling S.; Ghule, Vikas D.; Dharavath, Srinivas
Synthesis of C-C bonded trifluoromethyl-based high-energy density materials <i>via</i> the ANRORC mechanism.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 15324-15329
1571017 CIFC10 H27 O Si4P -19.377; 9.613; 11.879
70.53; 71.722; 61.483
871.5Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael
Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.
Chemical science, 2024, 15, 4427-4433
7715052 CIFCl10 K4 O Ru2I 4/m m m7.1221; 7.1221; 17.185
90; 90; 90
871.7He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin
Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4598-4606
7248456 CIFC10 H18P -18.277; 10.5807; 11.9867
113.506; 90.1279; 112.79
872.11Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248459 CIFC10 H18P -18.2775; 10.5829; 11.9879
113.506; 90.1124; 112.805
872.36Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
1572361 CIFC20 H16 N6 SP -18.806; 9.4077; 11.8916
109.261; 101.174; 101.954
872.43Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.
Targeting lysosomes by design: novel <i>N</i>-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance.
Chemical science, 2024, 15, 15109-15124
1572388 CIFC20 H10 Cl2 O6P -17.337; 9.4146; 13.7164
80.661; 77.547; 71.66
873.6Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar
A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions
Sensors & Diagnostics, 2024
7160186 CIFC23 H19 N O2P 1 21 15.3926; 9.5816; 16.9103
90; 90.234; 90
873.74Amire, Niyaz; Almagambetova, Kamila M.; Turlykul, Assel; Taishybay, Aidyn; Nuroldayeva, Gulzat; Belyaev, Andrey; Peshkov, Anatoly A.; Utepbergenov, Darkhan; Peshkov, Vsevolod A.
Triflic acid-promoted post-Ugi condensation for the assembly of 2,6-diarylmorpholin-3-ones.
Organic & biomolecular chemistry, 2024, 22, 9379-9387
7249014 CIFC16 H9 F4 I2 N OP 1 21 19.0215; 5.9752; 16.633
90; 102.764; 90
874.45Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik
Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes
CrystEngComm, 2024, 26, 4137-4145
1571382 CIFC5 H6 Br2 Cu N4P n m a8.943; 6.4316; 15.2113
90; 90; 90
874.92Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana
Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides
Crystals, 2024, 14, 319
7248463 CIFC10 H18P -18.2823; 10.6037; 11.9909
113.428; 90.0435; 112.888
875.02Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248473 CIFC10 H18P -18.2827; 10.6032; 11.9913
113.435; 90.043; 112.881
875.04Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7717069 CIFC18 H40 Mg2 N2 O22 S6P -15.7456; 9.3568; 16.623
88.264; 85.531; 79.245
875.2Chauhan, Aishwarya; Chauhan, Priyanka; Shankar, Ravi
Synthesis of anionic alkaline earth metal methanesulfonates bearing photo-responsive methylviologen.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17014-17020
7063087 CIFC26 H56 Cu3 N2 O10P -16.2514; 12.462; 12.7926
109.72; 99.887; 103.83
875.6Butrymowicz-Kubiak, A.; Luba, W.; Madajska, K.; Muzioł, T.; Szymańska, I. B.
Pivalate complexes of copper(ii) with aliphatic amines as potential precursors for depositing nanomaterials from the gas phase
New Journal of Chemistry, 2024, 48, 6232-6245
2023057 CIF
Paper
C11 H25 Au Cl3 P SeP -18.5878; 9.8435; 11.5022
78.391; 71.168; 73.463
875.78Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide.
Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 355-369
7062968 CIFC34 H38 Cd2 Cl2 N6 S2P -19.0044; 10.0424; 10.5406
75.097; 72.253; 88.38
875.95Sturner, Michelle A.; Thomas, Isla D.; Owusu-Koramoah, Joshua E.; Reynolds, Todd M.; Berry, Steven M.; Butcher, Raymond J.; Bebout, Deborah C.
Aggregation behavior of group 12 complexes of a tripodal mixed NS(thiolato) donor ligand
New Journal of Chemistry, 2024, 48, 2547-2557
7132436 CIFC2 H11 B10P 1 21/n 16.9432; 10.0433; 12.6587
90; 97.066; 90
876.02Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian
9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.
Chemical communications (Cambridge, England), 2024, 60, 614-617
7248629 CIFC12 H22 Br2 Cu S2P -19.1382; 9.9911; 11.27
65.156; 70.131; 84.401
876.92Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.
Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties
CrystEngComm, 2024, 26, 2953-2975
7248478 CIFC10 H18P -18.2838; 10.6169; 11.9887
113.31; 90.025; 112.879
877.19Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7715657 CIFC38 H48 N4 Zn2P -19.4824; 10.0818; 10.7058
103.486; 104.402; 109.408
877.31Chang, Chen-Chieh; Chen, Ming-Tsz; Huang, Tzu-Lun; Chen, Chi-Tien
Tunable zinc benzamidinate complexes: coordination modes and catalytic activity in the ring-opening polymerization of L-lactide.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7229-7238
7248475 CIFC10 H18P -18.2845; 10.6177; 11.989
113.302; 90.0282; 112.879
877.41Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7160281 CIFC25 H15 N SP -18.0985; 10.3014; 11.0803
96.301; 101.547; 101.238
877.6Vardanyan, Arpine; Polkaehn, Jonas; Bauder, Marie-Louis; Villinger, Alexander; Ehlers, Peter; Langer, Peter
Synthesis and properties of thienonaphtho[<i>bc</i>]pyridines and thienonaphtho[<i>bc</i>]quinolines.
Organic & biomolecular chemistry, 2024, 22, 8631-8648
7248480 CIFC10 H18P -18.2847; 10.6319; 11.9834
113.132; 90.0204; 112.854
879.77Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248481 CIFC10 H18P -18.2852; 10.6314; 11.9844
113.141; 90.0216; 112.856
879.77Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7715496 CIFC22 H36 B2 F8 Fe N18P -19.0817; 10.25; 11.7285
110.127; 99.834; 113.172
881.1Tołoczko, Aleksandra; Kaźmierczak, Marcin; Książek, Maria; Weselski, Marek; Siczek, Miłosz; Kusz, Joachim; Bronisz, Robert
Expanding the dimensionality of bis(tetrazolyl)alkane-based Fe(II) coordination polymers by the application of dinitrile coligands.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7163-7174
1572236 CIFC22 H25 Fe NP 1 21 110.888; 7.319; 11.07
90; 91.77; 90
881.74Cao, Xu-You; Xu, Shi-Yin; Wu, Ling-Wei; Qiu, Yi-Feng; Zhang, Hao; Si, Li-Ping; Wang, Li-Ming; Liu, Hai-Yang
Co(iii) corroles with pendant amidophenol and amidopyridine as proton-relay arms to facilitate the electrocatalytic hydrogen evolution reaction
Catalysis Science & Technology, 2024, 14, 5608-5615
7715044 CIFC10 H11 N3P 1 21/c 17.4806; 8.2712; 14.3479
90; 96.512; 90
882.03Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich
Cobalt(III)-containing penta-dentate "helmet"-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 3836-3854
1572390 CIFC22 H19 N O3P -18.3545; 10.511; 11.3187
103.653; 95.545; 111.128
882.64Khatua, Snehadrinarayan; Patra, Sumit Kumar; Rabha, Monosh; Lyngdoh Lyngkhoi, Deikrisha; Gogoi, Jogat; Sen, Bhaskar
A dual state emission luminogen based on the 1,3,3-trimethylindoline and chroman-2,4-dione conjugate for highly selective dual channel detection of cyanide ions
Sensors & Diagnostics, 2024
7248477 CIFC10 H18P -18.2855; 10.6479; 11.9802
112.957; 90.018; 112.818
882.64Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7248482 CIFC10 H18P -18.2862; 10.6476; 11.9806
112.961; 90.022; 112.819
882.66Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7714752 CIFCe Cl O4 WP 1 c 119.6059; 5.8945; 7.8009
90; 101.475; 90
883.51Jiao, Zixian; Quah, Jasmine; Syed, Tajamul Hussain; Wei, Wei; Zhang, Bingbing; Wang, Fei; Wang, Jian
Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO<sub>4</sub> (Ha = Cl, Br; VI = Mo, W).
Dalton transactions (Cambridge, England : 2003), 2024, 53, 2029-2038
7716195 CIFC36 H30 Cl4 Hf O2 P2P -19.4917; 9.5535; 10.5075
101.253; 108; 92.173
883.81Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9862-9873
7717096 CIFC13 H13 Cl F4 N2 O3 S2P -17.7328; 7.9098; 15.8738
82.544; 81.102; 67.567
883.98Mukhopadhyay, Joy; Sahoo, Subash C.; Bharatam, Prasad V.
(Imidazol-2-ylidene) → S coordination interactions and its modulation upon <i>S</i>-oxidation.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 17050-17058
2312458 CIF
HKL
Paper
C22 H22 N2 O2P 1 21/c 112.8456; 5.5803; 16.7446
90; 132.566; 90
884.01Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya
Three polymorphs of a new N,N'-dipropylated isoindigo derivative.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
1573174 CIFC20 H15 N O3 S2P -16.7864; 8.3598; 15.6513
92.948; 93.007; 92.615
884.51Owyong, Tze Cin; Shippey, Laura E.; Ding, Siyang; Owen, David S.; Zhang, Shouxiang; White, Jonathan; Wong, Wallace Wing Ho; Smith, David P.; Hong, Yuning
Development of NIAD-4 Derivatives for Fluorescence-based Detection of Protein Aggregates
Sensors & Diagnostics, 2024
7716194 CIFC36 H30 Cl4 O2 P2 ZrP -19.4661; 9.5612; 10.5356
101.126; 107.899; 92.429
885.05Seno, Carlotta; Pokratath, Rohan; Unniram Parambil, Ajmal Roshan; Van den Eynden, Dietger; Dhaene, Evert; Prescimone, Alessandro; De Roo, Jonathan
Complexation and disproportionation of group 4 metal (alkoxy) halides with phosphine oxides.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 9862-9873
7249352 CIFC14 H20 N8 O6P 1 21 14.4615; 15.3156; 13.0669
90; 97.558; 90
885.11Konovalova, Irina S.; Shishkina, Svitlana V.; Wyshusek, Maik; Patzer, Michael; Reiss, Guido J.
Supramolecular architecture of theophylline polymorphs, monohydrate and co-crystals with iodine: study from the energetic viewpoint
RSC Advances, 2024, 14, 29774-29788
1571016 CIFC20 H54 O2 Si8P 19.2895; 9.5681; 12.3723
93.065; 108.756; 118.62
885.12Glotz, Gabriel; Drusgala, Manfred; Hamm, Florian; Fischer, Roland C.; Došlić, Nađa; Kelterer, Anne-Marie; Gescheidt, Georg; Haas, Michael
Wavelength-dependent rearrangements of an α-dione chromophore: a chemical pearl in a bis(hypersilyl) oyster.
Chemical science, 2024, 15, 4427-4433
7248485 CIFC10 H18P -18.286; 10.6634; 11.9779
112.795; 90.023; 112.784
885.34Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7159948 CIFC8 H12 O5P 21 21 215.48541; 10.62294; 15.21442
90; 90; 90
886.562Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana
First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.
Organic & biomolecular chemistry, 2024, 22, 4864-4867
7133509 CIFC10 H12 Ce Cl6 N2C 1 2/m 112.993; 8.6538; 7.9621
90; 97.827; 90
886.91Blanes-Díaz, Anamar; Wacker, Jennifer N.; Szymanowski, Jennifer E. S.; Bertke, Jeffery A.; Knope, Karah E.
Isolation of a chloride-capped cerium polyoxo nanocluster built from 52 metal ions.
Chemical communications (Cambridge, England), 2024, 60, 12185-12188
7248293 CIFC22 H10 Br N5P -18.0699; 9.282; 12.323
79.161; 78.504; 84.709
887Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin
Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives
CrystEngComm, 2024, 26, 2155-2165
7063311 CIFC14 H24 Cu N2 S4P 1 21/c 16.6607; 9.1275; 14.825
90; 100.119; 90
887.27Jaiswal, Shubham; Rai, Nilesh; Chandra, Suryansh; Verma, Ashish; Gautam, Vibhav; Adhikari, Manu; Singh, Sanjay; Bharty, M. K.
Design, synthesis, and structural evaluation of metal complexes of azepane-1-carbodithioate for targeting human breast cancer: investigating cytotoxic activity against the MDA-MB-231 cell line
New Journal of Chemistry, 2024, 48, 13589-13601
7063364 CIFC22 H19 N3 OP -19.67; 9.892; 9.99
70.707; 81.349; 82.089
887.7Yashwantrao, Gauravi; Tripathi, Anjali; Seth, Saona; Badani, Purav; Saha, Satyajit
Designing novel benzofuran derived AIE-probes: dual-mode fluorescence turn-off and naked-eye color change for hydrazine detection
New Journal of Chemistry, 2024, 48, 14586-14594
7248492 CIFC10 H18P -18.2858; 10.6794; 11.9757
112.64; 90.0236; 112.75
887.97Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland
Structural chemistry of decalins and perfluorodecalins
CrystEngComm, 2024, 26, 2474-2490
7249072 CIFC21 H19 F N6 OP -16.0338; 7.3549; 20.9236
85.352; 88.35; 73.647
888.04Khetmalis, Yogesh Mahadu; Shobha, Singarapalle; Nandikolla, Adinarayana; Chandu, Ala; Murugesan, Sankaranarayanan; Kumar, Muthyala Murali Krishna; Chandra Sekhar, Kondapalli Venkata Gowri
Design, synthesis, and anti-mycobacterial evaluation of 1,8-naphthyridine-3-carbonitrile analogues
RSC Advances, 2024, 14, 22676-22689
1572495 CIFC19 H23 N5 SP -16.124; 10.0991; 14.9338
80.551; 86.987; 77.131
888.07Miyazaki, Ryuya; Takada, Fumito; Kikuchi, Takunari; Oguro, Yuya; Kamata, Makoto; Yukawa, Takafumi; Kato, Kenta; Muto, Kei; Yamaguchi, Junichiro
2<i>H</i>-Thiazolo[4,5-<i>d</i>][1,2,3]triazole: synthesis, functionalization, and application in scaffold-hopping.
Chemical science, 2024, 15, 15835-15840
7715053 CIFC2 H24 Ni2 O22 Ru2P 1 21/c 19.2137; 5.9918; 16.2072
90; 96.85; 90
888.36He, Yu-Ru; Zhang, Mi; Huang, Wen-Hui; Xue, Xiang-Xian; Zhou, Zi-Qin; Feng, Li-Na; Yang, Jian-Hui; Liu, Bin
Edge-sharing bi-octahedral diruthenium(IV,IV) compounds containing Ru-Ru bonds chelated and bridged by two carbonate and two oxo groups.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4598-4606
7248034 CIFC4 H8 Cl N7 O2P n a 219.6066; 19.859; 4.6599
90; 90; 90
889Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing
A desirable coplanar energetic pentazolate salt driven by hydrogen bonds
CrystEngComm, 2024, 26, 748-752
1573077 CIF
Paper
C9 H12 O2 SP n a 217.5555; 15.7119; 7.4892
90; 90; 90
889.05Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner
3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione
IUCrData, 2024, 9
7160158 CIFC15 H16 N2 O4 SP -17.453; 10.846; 11.701
84.04; 75.55; 76.36
889.1Rajat, ?; Rajput, Shruti; Grover, Nitika; Jain, Nidhi
Photocatalyst-free regioselective sulfonamidation of <i>N</i>-(2-hydroxyaryl)amides in visible-light.
Organic & biomolecular chemistry, 2024, 22, 8649-8655

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