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2312416 CIF
Paper
C36 H42 Cl2 N2 O3C 1 2/c 113.8926; 11.9663; 19.3872
90; 100.384; 90
3170.2Wood, Matthew R.; Bernal, Ivan; Lalancette, Roger A.
Crystal structure and analytical profile of 1,2-diphenyl-2-pyrrolidin-1-ylethanone hydrochloride or `α-D2PV': a synthetic cathinone seized by law enforcement, along with its diluent sugar, myo-inositol.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 91-97
2312459 CIF
HKL
Paper
C22 H22 N2 O2C 1 2/c 135.4947; 5.5238; 18.9927
90; 109.151; 90
3517.73Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya
Three polymorphs of a new N,N'-dipropylated isoindigo derivative.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312463 CIF
Paper
C12 H17 N4 O4.5 SC 1 2/c 135.1636; 7.8905; 10.4972
90; 100.091; 90
2867.5Kennedy, 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
2312478 CIF
Paper
C10 H16 Cu4 N6 O2C 1 2/c 19.6829; 8.2557; 21.4992
90; 95.212; 90
1711.52Corfield, 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
2312506 CIF
HKL
Paper
C18 H24 Ca O20 ZnC 1 2/c 117.848; 20.106; 6.5975
90; 97.997; 90
2344.5Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong
Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312507 CIF
HKL
Paper
C18 H24 Ca Co O20C 1 2/c 117.875; 20.192; 6.5339
90; 98.557; 90
2332Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong
Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312516 CIF
Paper
C38 H30 Cu2 N2 O15C 1 2/c 111.9851; 17.7472; 17.1294
90; 92.637; 90
3639.6Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312530 CIF
Paper
C12 H26 I14 N2 Pd2 S4C 1 2/c 121.609; 8.198; 24.151
90; 100.17; 90
4211.1Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin
Formation of extended polyiodides at large cation templates.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 311-318
2312563 CIF
Paper
C55 H42 F18 Fe2 N15 P3C 1 2/c 125.562; 17.0373; 14.8998
90; 112.112; 90
6011.7Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E
Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312585 CIF
HKL
Paper
C30 H32.4 Cl2 Cu3 N16 O20.2C 1 2/c 117.9569; 15.2466; 16.6781
90; 95.296; 90
4546.7Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312587 CIF
HKL
Paper
C26 H30 N4 O4 S2C 1 2/c 130.0416; 9.7018; 24.0984
90; 129.744; 90
5400.6Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.
Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312614 CIF
Paper
C31 H19 B N6 SC 1 2/c 149.653; 12.1268; 27.559
90; 114.838; 90
15059Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312622 CIF
HKL
Paper
C66 H86.67 N12 Nd4 O51.33 S6C 1 2/c 144.4766; 21.3079; 10.3339
90; 109.625; 90
9224.57Calisto, Victoria F. M.; De Abreu, Heitor A.; Diniz, Renata
Experimental and theoretical structural investigation of an ionic Nd coordination polymer.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312394 CIF
HKL
Paper
C22 H32.64 Ag N9 O13.32 S2C 2 2 214.8791; 22.049; 28.256
90; 90; 90
3039.8Al-Mahamad, Lamia L G; Clegg, William
Synthesis and crystal structure of a silver(I) 6-methylmercaptopurine riboside complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312508 CIF
HKL
Paper
C18 H30 Ca O24 Zn2C c c a :26.9927; 18.934; 20.808
90; 90; 90
2755Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong
Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312583 CIF
HKL
Paper
C30 H38 Cl2 Cu3 N16 O13C c c a :213.766; 20.162; 30.654
90; 90; 90
8508Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312475 CIF
HKL
Paper
Ge29.7 Mg22.3 Ni64F m -3 m11.5036; 11.5036; 11.5036
90; 90; 90
1522.3Pavlyuk, Nazar; Dmytriv, Grygoriy; Bondaruk, Alina; Ciesielski, Wojciech; Pavlyuk, Volodymyr
Crystal, electronic structure and hydrogenation properties of the Mg<sub>5.57</sub>Ni<sub>16</sub>Ge<sub>7.43</sub> cluster phase with a new type of polyhedron.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312396 CIF
Paper
C27 H41 N3 O5I 1 2 140.2744; 5.0976; 27.698
90; 105.729; 90
5473.5Gurung, Kshitij; Šimek, Petr; Jegorov, Jr, Alexandr; Palatinus, Lukáš
Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 56-61
2312518 CIF
Paper
C41 H54 Cu2 O20I 1 2/a 119.4801; 13.0774; 34.5443
90; 97.702; 90
8720.7Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312663 CIF
HKL
Paper
C17 H18 N6 O2I 1 2/a 113.1498; 12.1582; 20.6224
90; 106.538; 90
3160.7Mohana, 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
2312395 CIF
HKL
Paper
C52 H40 F4 N4 PtI 4/m17.1883; 17.1883; 9.1123
90; 90; 90
2692.1Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K.
Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II).
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312554 CIF
HKL
Paper
C28 H20 Br5 N6 SbI 4/m23.8054; 23.8054; 7.3222
90; 90; 90
4149.5Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long
Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312552 CIF
HKL
Paper
C52 H56 Cl4 Mn2 O6 P4I 41/a :221.0944; 21.0944; 12.0785
90; 90; 90
5374.61Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu
Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312393 CIF
HKL
Paper
C41 H47 Br F N7 O7 SP -112.5755; 12.6649; 14.4336
68.909; 82.733; 75.557
2075.3Yang, Haiwu; Liang, Minyi; Tian, Fang
Crystal structure and Hirshfeld surface analysis of a salt of antineoplastic kinase inhibitor vandetanib.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312419 CIF
HKL
Paper
C20 H20 N6 OP -19.455; 9.628; 12.023
69.506; 79.904; 66.215
937.4Song, 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
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
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
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
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
2312462 CIF
Paper
C12 H17 N3 O7 SP -18.2876; 10.6404; 17.4834
89.734; 84.793; 86.146
1531.91Kennedy, 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
2312464 CIF
Paper
C16 H24 N4 O6 SP -18.4933; 13.0977; 17.1657
90.97; 103.18; 95.132
1850.43Kennedy, 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
2312466 CIF
Paper
C12 H11 K N2 O5 SP -15.962; 7.2033; 31.929
83.852; 86.361; 88.868
1360.5Kennedy, 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
2312467 CIF
Paper
C12 H14 K N3 O5 SP -113.3058; 13.6247; 18.4664
88.373; 73.971; 66.313
2933.52Kennedy, 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
2312471 CIF
HKL
Paper
C44 H48 Cl6 Fe3 N16 OP -18.9568; 12.8555; 12.8951
116.349; 91.178; 91.622
1329.09Pacholski, Roman; Durka, Krzysztof; Buchalski, Piotr
Synthesis and crystal structure of an iron triazole complex resulting from the unexpected ligand cleavage of a triazolium carbene precursor.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312473 CIF
Paper
C67 H54 B3 Cl2 Dy N12 O6P -112.1461; 16.1883; 17.1795
102.659; 103.322; 95.948
3164.6Thomas, Jarrod R.; Sulway, Scott A.
Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312474 CIF
Paper
C66 H52 B3 Dy N12 O6P -111.72; 11.9389; 21.9139
75.579; 76.715; 86.477
2890.2Thomas, Jarrod R.; Sulway, Scott A.
Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312484 CIF
Paper
C19 H24 N6 O6P -17.5284; 11.2362; 12.2606
85.742; 76.887; 79.803
993.5González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector
Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312503 CIF
HKL
Paper
C44 H34 Cl2 Mn N6 O10P -18.93282; 12.32698; 18.86081
89.8757; 85.6122; 83.5667
2057.68Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto
Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312510 CIF
Paper
C45 H61 Cu2 N O18P -110.1659; 10.7383; 12.9878
76.132; 69.646; 75.304
1267.74Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312511 CIF
Paper
C40 H49 Cu2 Li O24P -19.7711; 10.1924; 12.5863
73.615; 79.528; 83.412
1179.87Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312512 CIF
Paper
C43 H56 Cu2 N4 O15P -18.886; 10.702; 12.36
73.13; 73.07; 81.68
1073.8Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312514 CIF
Paper
C44 H64 Cu2 N4 O20P -110.4964; 10.6595; 12.3226
97.271; 101.042; 108.13
1260.15Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312515 CIF
Paper
C68 H84 Cu2 N4 O21P -110.2155; 12.0897; 15.7111
69.581; 75.988; 79.651
1754.64Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin
Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312521 CIF
Paper
C4 H4 F6 O6 S2P -110.036; 10.664; 11.276
83.54; 64.178; 89.593
1078.2Pickl, 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
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
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
2312528 CIF
HKL
Paper
C51 H43 F6 N2 O P3 RuP -111.7657; 14.1033; 14.9728
94.141; 97.381; 111.957
2265.6Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew
Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 319-330
2312540 CIF
Paper
C56.5 H51 Br2 Mn2 O4 P2 S2P -110.3309; 10.7727; 13.0821
87.692; 82.138; 62.507
1278.93Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz
Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312543 CIF
HKL
Paper
C25 H20 Cl N3 O6 SP -17.489; 8.302; 21.384
93.03; 91.61; 111.17
1236.5Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing
Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312546 CIF
Paper
C12 H9 N O5P -13.7001; 12.4583; 22.846
89.55; 86.967; 81.46
1040Palme, Paul R.; Goddard, Richard; Richter, Adrian; Imming, Peter; Seidel, Rüdiger W
3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312565 CIF
Paper
C16 H19 Br N2 O2P -17.8794; 9.7748; 16.272
104.385; 98.342; 96.386
1186.86Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
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
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
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
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
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
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
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
2312579 CIF
HKL
Paper
C20 H20 Br2 F2 I2 N4P -19.6158; 9.7518; 14.8423
74.473; 85.82; 61.476
1175.73Bosch, 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
2312590 CIF
Paper
C57.09 H63.47 Cl0.76 N28 Zr2P -113.9631; 16.7619; 27.3054
86.902; 81.154; 89.969
6305.3Bikzhanova, Galina A.; Guzei, Ilia A.
Coordination variety of phenyltetrazolato and dimethylamido ligands in dimeric Ti, Zr, and Ta complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312592 CIF
HKL
Paper
C26 H34 Cu N4 O10P -18.1778; 12.3323; 15.9879
69.166; 77.689; 88.572
1470.03Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312593 CIF
HKL
Paper
C26 H32 Cu N4 O9P -111.0826; 11.184; 12.188
86.537; 69.82; 83.261
1407.8Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
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
2312607 CIF
Paper
C192 H178 B6 N36 O7P -115.3028; 16.2278; 17.3604
103.045; 105.716; 94.022
4003Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312608 CIF
Paper
C30 H17 B N6 OP -110.0268; 10.7263; 11.809
85.879; 77.44; 66.151
1133.6Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312610 CIF
Paper
C26 H15 B N6 O2P -19.3432; 9.3548; 12.3322
104.203; 100.751; 90.701
1024.69Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312613 CIF
Paper
C30 H12 B F5 N6 SP -110.701; 11.8651; 22.4968
95.863; 92.861; 115.433
2552.1Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312615 CIF
Paper
C31 H20.28 B N7 O0.14P -111.4897; 11.7489; 19.3046
73.348; 81.941; 76.167
2417.05Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
The influence of the axial group on the crystal structures of boron subphthalocyanines.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312621 CIF
HKL
Paper
C48 H64 Cu2 O18P -113.3799; 13.7269; 21.7569
83.135; 81.967; 86.064
3922.9Bermúdez, Mariano Marziali; Muller, Federico G.; Baggio, Ricardo; Cukiernik, Fabio D.
Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312650 CIF
HKL
Paper
C14 H16 N6 O2P -111.5487; 11.5859; 11.9737
69.595; 73.659; 74.862
1417Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312651 CIF
HKL
Paper
C9 H10 Br N5 O2 SP -18.4348; 10.5501; 14.0931
77.558; 86.82; 78.896
1201.61Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312652 CIF
HKL
Paper
C9 H10 Cl N5 O2 SP -18.3306; 10.4403; 14.0361
78.406; 87.357; 78.608
1172.28Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312658 CIF
Paper
C34 H26 Fe S4P -18.4836; 10.3028; 16.721
90.73; 103.948; 94.999
1412.15Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312661 CIF
HKL
Paper
C46 H38 N5 O4 S3 Zn2P -110.7102; 13.1376; 17.1385
100.87; 101.489; 110.186
2129.46Anaya-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
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
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
2312582 CIF
HKL
Paper
C15 H3 F18 Fe O6P -318.1141; 18.1141; 11.7136
90; 90; 120
3328.55Chang, Joyce; Defeo, Julianna N.; Wei, Zheng; Dikarev, Evgeny V.
Two polymorph modifications of tris(hexafluoroacetylacetonato)iron(III) revealed: is that common for other trivalent metals?
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
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
2312655 CIF
Paper
C31 H28 Fe O3 S3P 17.8298; 9.8573; 17.4937
93.379; 91.12; 98.051
1334.02Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2023209 CIF
HKL
Paper
C17 H18 N6P 1 21 18.711; 19.5857; 18.9372
90; 90.857; 90
3230.53Peng, Ziyu; Ye, Long
Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate
Acta Crystallographica Section C Structural Chemistry, 2024, 80
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
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
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
2312532 CIF
HKL
Paper
C18 H34 N2 O12P 1 21 14.7599; 14.3223; 16.6515
90; 90.022; 90
1135.18Shit, Pradip; Tetrault, Timothy; Zhang, Wenhui; Yoon, Mi Kyung; Oliver, Allen G.; Serianni, Anthony S.
Conformational disorder in the crystal structure of methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside) methanol monosolvate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 331-336
2312653 CIF
Paper
C24 H22 Fe O2 S2P 1 21 17.8964; 12.9064; 11.0124
90; 109.467; 90
1058.16Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312654 CIF
Paper
C24 H22 Fe O2 S2P 1 21 117.1882; 6.0383; 20.4271
90; 95.995; 90
2108.5Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312656 CIF
Paper
C41 H40 Fe O5.5 S4P 1 21 112.8893; 8.2225; 36.5
90; 97.106; 90
3838.6Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312418 CIF
HKL
Paper
C29 H21 Br N4 O5 ZnP 1 21/c 19.73; 16.52; 17.649
90; 103.19; 90
2762Wang, Yan; Cheng, Wei Wei; Mou, Yi; Wen, Shuai; Wang, Dongkai; Xue, Yun Shan
A twofold interpenetrated two-dimensional zinc(II) coordination polymer for the highly sensitive detection of nitrofurantoin in aqueous medium.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
2312460 CIF
HKL
Paper
C22 H22 N2 O2P 1 21/c 115.0486; 9.1347; 18.5227
90; 136.112; 90
1765.16Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya
Three polymorphs of a new N,N'-dipropylated isoindigo derivative.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312472 CIF
Paper
C68 H56 B3 Ce Cl4 N12 O6P 1 21/c 111.2742; 27.1355; 21.3644
90; 90.166; 90
6536Thomas, Jarrod R.; Sulway, Scott A.
Borotropic shifting of the [hydrotris(2'-furyl)pyrazol-1-yl]borate ligand in high-coordinate lanthanide complexes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80

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