Crystallography Open Database

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2311992 CIF
Paper
C22 H18 N2 O2P 1 21/c 110.2458; 8.007; 23.3695
90; 102.461; 90
1872.03Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng
Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.
Acta crystallographica. Section C, Structural chemistry, 2018, 74, 1058-1067
2311993 CIFC6 H8 Li O8 RbP 1 21/a 123.1577; 6.49992; 6.49067
90; 99.6112; 90
963.28Cigler, Andrew J.; Kaduk, James A.
Dilithium (citrate) crystals and their relatives.
Acta crystallographica. Section C, Structural chemistry, 2018, 74, 1160-1170
2311994 CIFC6 H6 Li2 O7P -16.5872; 6.2997; 9.8321
93.898; 106.056; 97.624
386.27Cigler, Andrew J.; Kaduk, James A.
Dilithium (citrate) crystals and their relatives.
Acta crystallographica. Section C, Structural chemistry, 2018, 74, 1160-1170
2311995 CIFC6 H6 Li Na O7P -16.5811; 6.357; 9.9389
91.762; 104.388; 97.438
398.52Cigler, Andrew J.; Kaduk, James A.
Dilithium (citrate) crystals and their relatives.
Acta crystallographica. Section C, Structural chemistry, 2018, 74, 1160-1170
2311996 CIFC6 H6 K Li O7P -16.2771; 6.3166; 10.8323
93.054; 102.747; 96.054
415.28Cigler, Andrew J.; Kaduk, James A.
Dilithium (citrate) crystals and their relatives.
Acta crystallographica. Section C, Structural chemistry, 2018, 74, 1160-1170
2311997 CIFC17 H14 Cl2 N2 O2B -116.7989; 17.0054; 22.1341
78.897; 100.411; 90.042
6098.8Garraza, María Soledad; Gimenez, María Emilia; Vega, Daniel Roberto; Baggio, Ricardo
Crystal structure and pseudosymmetry analysis of the triclinic prodrug cloxazolam (Z' = 4).
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 851-858
2311998 CIF
Paper
C63 H63 Eu O27R 3 :H27.194; 27.194; 7.6221
90; 90; 120
4881.5Han, Mei Rong; Li, Shao Dong; Ma, Ling; Yao, Bang; Feng, Si Si; Zhu, Miao Li
Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium.
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1220-1227
2311999 CIF
Paper
C126 H126 N14 Nb2C 1 2/c 132.077; 15.83; 24.815
90; 97.655; 90
12488Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1259-1265
2312000 CIF
Paper
C120 H132 N12 Nb2 O3P -112.2029; 12.5921; 19.676
95.62; 101.807; 113.236
2665.2Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1259-1265
2312001 CIF
Paper
C78 H102 N6 NbR -3 :H15.2582; 15.2582; 26.7313
90; 90; 120
5389.6Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1259-1265
2312002 CIF
Paper
C17 H13 N O4P 1 21/n 112.5596; 7.587; 14.3433
90; 94.66; 90
1362.25Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached
Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1617-1627
2312003 CIF
Paper
C17 H13 N O4P 21 21 2125.8641; 13.2022; 4.05295
90; 90; 90
1383.93Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached
Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1617-1627
2312004 CIF
Paper
C17 H15 N O5P 21 21 2125.2195; 12.8116; 4.54932
90; 90; 90
1469.9Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached
Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.
Acta crystallographica. Section C, Structural chemistry, 2019, 75, 1617-1627
2312027 CIF
HKL
Paper
C12 H16 Ca N2 O9P -16.661; 9.833; 12.612
74.277; 79.224; 84.609
780.3Liu, Huang Huang; Liang, Chu Heng; Liu, Yan; Zhang, Hong Tao
A two-dimensional calcium (II) coordination polymer constructed from 2,2'-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure and properties.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 675-682
2312035 CIF
Paper
C16 H10 F4 I2 N2 S2P 1 21/c 116.288; 5.79; 10.546
90; 104.77; 90
961.7Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar
Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 112-117
2312036 CIF
Paper
C11 H12 Cl2 N2 S2F 2 d d8.0815; 17.2161; 18.9254
90; 90; 90
2633.1Mosquera, Marta E. G.; Dortez, Silvia; Fernández-Palacio, Francisco; Gómez-Sal, Pilar
Pyridine-4-thiol as halogen-bond (HaB) acceptor: influence of the noncovalent interaction in its reactivity.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 112-117
2312037 CIF
HKL
Paper
C14 H23 F I Nb Si2C 1 2/c 115.1427; 8.9369; 26.143
90; 98.304; 90
3500.8Rodriguez, Sara M.; Motta, Ysidro N.; Hill, Michael R.; Oelke, Laura M.; Carter, Carly C.; Cundari, Thomas R.; Yousufuddin, Muhammed
Crystal structure and DFT calculations of Cp<sub>2</sub>NbH(SiIMe<sub>2</sub>)(SiFMe<sub>2</sub>): an asymmetric bis(silyl) niobocene hydride complex.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 158-163
2312038 CIF
HKL
Paper
C21 H25 Cu2 N3 O4P -18.0549; 9.8811; 13.7189
106.451; 103.271; 91.482
1014.4Ranaweera, Samantha A.; Donnadieu, Bruno; Henry, William P.; White, Mark G.
Effects of electron-donating ability of binding sites on coordination number: the interactions of a cyclic Schiff base with copper ions.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 142-148
2312039 CIF
HKL
Paper
C29 H18 F4 N4 O4P 1 21/c 123.8353; 6.8067; 16.6103
90; 109.104; 90
2546.43Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.
π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 149-157
2312040 CIF
HKL
Paper
C29 H18 F4 N4 O4P b c n13.131; 14.423; 26.523
90; 90; 90
5023Bosch, Eric; Moreno, Bryce S.; Bowling, Nathan P.
π-Complexation and C-H hydrogen bonding in the formation of colored cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 149-157
2312043 CIF
HKL
Paper
C26 H20 Cl2 N4P -16.1037; 9.3345; 10.4146
83.039; 77.139; 85.055
573.15Parkin, Sean; Glidewell, Christopher; Horton, Peter N.
(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 77-82
2312044 CIF
HKL
Paper
C26 H20 Cl2 N4C 1 c 122.657; 5.4399; 19.086
90; 99.967; 90
2316.9Parkin, Sean; Glidewell, Christopher; Horton, Peter N.
(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 77-82
2312045 CIF
HKL
Paper
C26 H20 Cl2 N4C 1 2/c 122.657; 5.4399; 19.086
90; 99.967; 90
2316.9Parkin, Sean; Glidewell, Christopher; Horton, Peter N.
(E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 77-82
2312046 CIF
HKL
Paper
C25 H19 NP 1 21/c 112.6112; 8.6352; 17.308
90; 105.925; 90
1812.51Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 94-103
2312047 CIF
HKL
Paper
C25 H17 Cl2 NC 1 2/c 128.495; 9.5384; 16.052
90; 118.581; 90
3831.2Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 94-103
2312048 CIF
HKL
Paper
C32 H22 Br N OP 1 21/n 112.287; 15.528; 12.844
90; 99.877; 90
2414.2Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 94-103
2312049 CIF
HKL
Paper
C32 H21 Br Cl N OP -19.9051; 11.3936; 11.8192
77.727; 76.116; 86.448
1265.2Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 94-103
2312050 CIF
HKL
Paper
C30 H20 Br N O SP b c a15.5785; 16.4215; 18.3126
90; 90; 90
4684.8Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 94-103
2312077 CIF
HKL
Paper
C8 H14 N8 O4P -17.1203; 7.2221; 7.3808
96.813; 106.031; 114.329
320.47Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 177-185
2312078 CIF
HKL
Paper
C10 H16 N8 O4C 1 2/c 114.5686; 7.1704; 13.9658
90; 104.209; 90
1414.27Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 177-185
2312079 CIF
HKL
Paper
C10 H18 N8 O4C 1 2/c 116.4095; 6.7848; 14.8471
90; 116.556; 90
1478.61Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 177-185
2312080 CIF
HKL
Paper
C12 H22 N8 O4P 1 21/c 14.6121; 16.8608; 10.7931
90; 93.853; 90
837.41Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 177-185
2312081 CIF
HKL
Paper
C132 H192 B4 N12P -115.5952; 15.7968; 25.7779
74.729; 85.878; 89.857
6109.5Lovstedt, Alex; Dempsey, Stephen H.; Kass, Steven R.
Structure determination of a bis[4-(di-n-butylamino)phenyl](pyridin-3-yl)borane tetramer highlighting a unique geometric conformation of the core 16-membered ring.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 170-176
2312083 CIF
HKL
Paper
C18 H42 O21P 21 21 218.8921; 12.2495; 23.798
90; 90; 90
2592.2Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi
Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748
2312084 CIF
HKL
Paper
C18 H40 O20P 21 21 218.987; 12.3973; 23.528
90; 90; 90
2621.4Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi
Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748
2312085 CIF
HKL
Paper
C10 H12 N2 O4 SP 1 21/n 18.6173; 14.6662; 9.4885
90; 108.075; 90
1140.01Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312086 CIF
HKL
Paper
C11 H14 N2 O4 SP 1 21/n 18.6881; 15.0266; 9.8337
90; 106.526; 90
1230.8Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312087 CIF
HKL
Paper
C14 H12 N2 O4 SP 1 21/n 17.4701; 23.6743; 7.8614
90; 94.989; 90
1385.02Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312088 CIF
HKL
Paper
C10 H14 N2 O2 SP 1 21/c 116.399; 7.9485; 18.376
90; 113.907; 90
2189.8Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312089 CIF
HKL
Paper
C11 H16 N2 O2 SP b c a11.1747; 10.485; 20.1368
90; 90; 90
2359.36Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312090 CIF
HKL
Paper
C14 H14 N2 O2 SP 1 21/n 19.799; 10.2612; 13.201
90; 100.682; 90
1304.4Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742
2312091 CIF
HKL
Paper
C25 H20 Cu N4 O8P -110.4795; 11.1326; 12.1768
101.393; 105.793; 115.958
1143.78Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore
Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 755-759
2312092 CIF
HKL
Paper
Cl H2 K OP 1 21/n 15.687; 6.3969; 8.447
90; 107.08; 90
293.7Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki
Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 749-754
2312093 CIF
HKL
Paper
C55 H41 Cu F6 N P3P -111.0585; 12.0918; 19.5318
73.751; 74.975; 74.263
2365.4Zhang, Dan Qi; Song, Li; Wu, Jin Tao; Zhu, Yu Fan; Xu, Wen Ze; Lai, Jia Qi; Chai, Wen Xiang
Structural, spectroscopic, luminescence sensing and TD-DFT theoretical studies of a CuP<sub>2</sub>N-type complex.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 186-192
2312094 CIF
HKL
Paper
C17 H16 Cl N2 O2 PP -16.927; 8.613; 14.335
83.295; 81.574; 80.251
830.1Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin
Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 193-203
2312095 CIF
HKL
Paper
C18 H16 N3 O2 PP -16.267; 9.551; 14.615
88.185; 84.742; 75.841
844.6Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin
Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 193-203
2312096 CIF
HKL
Paper
C18 H19 N2 O2 PC 1 2/c 127.998; 10.747; 11.362
90; 97.344; 90
3391Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin
Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 193-203
2312097 CIF
HKL
C26 H21 Cl N6 OP -19.652; 9.7408; 14.1445
98.183; 104.638; 90.059
1272.6Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher
Synthesis of 5-(arylmethylideneamino)-4-(1H-benzo[d]imidazol-1-yl)pyrimidine hybrids: synthetic sequence and the molecular and supramolecular structures of two intermediates and three final products.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 227-236
2312098 CIF
HKL
Paper
C24 H21 N OC 1 2/c 119.5522; 5.8693; 31.3714
90; 91.438; 90
3599Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.
Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 217-226
2312099 CIF
HKL
Paper
C18 H17 N O2C 1 2/c 125.1922; 5.7621; 20.7012
90; 109.066; 90
2840.14Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.
Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC<sub>6</sub>H<sub>4</sub>-p-CH<sub>3</sub>)-4-methylchalcone and 3'-(NHCOCH<sub>3</sub>)-4-methylchalcone.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 217-226
2312100 CIF
HKL
Paper
C161 H210 Cl16 N4 Ni O20 P4 Pt2 Si4P -112.702; 19.372; 20.34
71.313; 81.809; 78.917
4635Gildenast, Hans; Gruszien, Lukas; Englert, Ulli
The heterometallic one-dimensional solvated coordination polymer [NiPt<sub>2</sub>Cl<sub>6</sub>(TRIP-Py)<sub>4</sub>]<sub>n</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 118-124
2312111 CIF
HKL
Paper
Nd0.51 Ni4.83 Tb1.51 Zn12.17R -3 m :H9.0637; 9.0637; 13.2319
90; 90; 120
941.38Nytka, Vitalii; Kordan, Vasyl; Stetskiv, Andrij; Pavlyuk, Volodymyr
Tb<sub>2-x</sub>Nd<sub>x</sub>Zn<sub>17-y</sub>Ni<sub>y</sub> (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 257-262
2312112 CIF
HKL
Paper
C14 H8 F N O2 SP -17.5224; 8.4415; 10.82
91.437; 104.157; 112.754
608.8Çakmak, Şukriye; Aycan, Tuğba; Yakan, Hasan; Veyisoğlu, Aysel; Tanak, Hasan; Evecen, Meryem
Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 249-256
2312125 CIF
HKL
Paper
C6 H32 Cl3 Co N6 O4P -3 c 111.3193; 11.3193; 15.4254
90; 90; 120
1711.6Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
2312126 CIF
HKL
Paper
C12 H60 Cl7 Co2 N12 Na O6P -3 c 111.354; 11.354; 15.683
90; 90; 120
1751Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
2312127 CIF
HKL
Paper
C12 H60 Cl7 Co2 K N12 O6P -3 c 111.4444; 11.4444; 15.649
90; 90; 120
1775.02Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
2312128 CIF
HKL
Paper
C12 H64 Cl7 Co2 N13 O6P -3 c 111.4131; 11.4131; 15.578
90; 90; 120
1757.3Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
2312129 CIF
HKL
Paper
C12 H60 Cl7 Co2 N12 Na O6P 311.32; 11.32; 8.049
90; 90; 120
893.2Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.
Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 164-169
2312130 CIF
HKL
Paper
C13 H20 N6 SP 1 21/n 19.1032; 10.9034; 15.3748
90; 107.202; 90
1457.78Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata
Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 283-291
2312131 CIF
HKL
Paper
C14 H22 N6 SP 1 21/c 19.3148; 9.386; 36.2261
90; 94.812; 90
3156.04Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata
Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 283-291
2312132 CIF
HKL
Paper
C15 H19 N5 O2 SI 1 a 17.96887; 10.94707; 18.4759
90; 96.242; 90
1602.2Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata
Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 283-291
2312133 CIF
HKL
Paper
C20 H16 N4 O6 PbP 1 21/n 17.769; 22.149; 13.656
90; 99.399; 90
2318Liu, Xiangning; Cai, Hua; Zhou, Ruikang; Li, Yaqi
Construction of a Pb<sup>II</sup> coordination polymer from a semi-rigid ditopic 2,2-biimidazole derivative: synthesis, crystal structure and characterization.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 263-268
2312134 CIF
HKL
Paper
C17 H24 N2 O5P 21 21 214.82; 19.11; 19.28
90; 90; 90
1775.9Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna
Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 277-282
2312135 CIF
Paper
C6 H12 B N O7 SP b c a14.1807; 7.4675; 20.0702
90; 90; 90
2125.32Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo
Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 269-276
2312136 CIF
HKL
Paper
C7 H12 B N O6 SP 1 21/n 110.97561; 7.22452; 13.5494
90; 103.343; 90
1045.38Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo
Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 269-276
2312145 CIF
HKL
Paper
C34 H78 Cd N4 O6 S2 Si2P 1 21/n 116.424; 16.876; 18.265
90; 112.66; 90
4672Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka
Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.
Acta crystallographica. Section C, Structural chemistry, 2023
2312146 CIF
HKL
Paper
C58 H132 Cd2 N4 O12 S4 Si4P 1 21/n 19.6433; 29.0546; 14.5665
90; 91.466; 90
4079.94Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka
Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.
Acta crystallographica. Section C, Structural chemistry, 2023
2312147 CIF
HKL
Paper
C14 H13 N3 O5P 1 21/n 115.3082; 5.202; 18.6832
90; 112.809; 90
1371.46Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 237-248
2312148 CIF
HKL
Paper
C22 H17 Cl N2 O4P 1 21/n 15.1567; 21.1373; 17.8054
90; 92.826; 90
1938.41Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 237-248
2312149 CIF
HKL
Paper
C24 H20 N2 O3P 1 21/c 115.344; 5.4552; 23.7301
90; 96.148; 90
1974.89Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 237-248
2312150 CIF
HKL
Paper
C21 H18 N4 O2P 1 21/n 15.1236; 17.7396; 19.7236
90; 91.09; 90
1792.37Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 237-248
2312153 CIF
HKL
Paper
C28 H20 Cl N4 P TeP 1 21/n 118.2538; 7.3008; 20.0497
90; 106.867; 90
2557.02Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.
<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523
2312154 CIF
HKL
Paper
C12 H20 Cl N4 P TeP -16.95; 9.5921; 13.604
102.427; 101.89; 91.876
863.8Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.
<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523
2312155 CIF
HKL
Paper
C14 H6 N8 O2 Se2P 1 21/c 16.2634; 7.4089; 18.32
90; 96.42; 90
844.8Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L.
<sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals.
Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523
2312156 CIF
HKL
Paper
C26 H28 N4 O10 ZrP 1 2/n 111.3873; 9.0517; 14.4136
90; 113.225; 90
1365.28Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan
Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312157 CIF
HKL
Paper
C19 H17 N O2P -17.774; 7.9955; 12.4836
106.383; 98.191; 93.279
732.96Yahiaoui, Ahmed Abderrahim; Ghichi, Nadir; Hannachi, Douniazed; Mezhoud, Bilel; Djedouani, Amel; Kraim, Khairedine; Crochet, Aurélien; Stoeckli-Evans, Helen
The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312275 CIF
HKL
Paper
Cd Cu2 S4 SiP m n 217.60853; 6.48071; 6.24923
90; 90; 90
308.141Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.
Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312276 CIF
HKL
Paper
Cu2 Hg S4 SnI -4 2 m5.5798; 5.5798; 10.86
90; 90; 90
338.12Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.
Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312277 CIF
HKL
Paper
C21 H21 N3 O3P 1 21/n 17.4355; 34.195; 7.7242
90; 112.512; 90
1814.3Scheepers, Matthew Clarke; Lemmerer, Andreas
The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312278 CIF
HKL
Paper
C17 H19 N3 O5P 1 21/n 111.0834; 13.8364; 12.0014
90; 115.71; 90
1658.26Scheepers, Matthew Clarke; Lemmerer, Andreas
The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312279 CIF
HKL
Paper
C20 H19 N3 O3C 1 c 17.6312; 33.5293; 7.3493
90; 114.298; 90
1713.88Scheepers, Matthew Clarke; Lemmerer, Andreas
The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312280 CIF
HKL
Paper
C17 H17 Cl N4 O5P 1 21/n 17.2682; 34.0775; 7.6124
90; 111.081; 90
1759.27Scheepers, Matthew Clarke; Lemmerer, Andreas
The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312281 CIF
HKL
Paper
C17 H19 N3 O5P -19.2054; 11.5589; 15.6268
92.383; 93.092; 90.666
1658.74Scheepers, Matthew Clarke; Lemmerer, Andreas
The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312282 CIF
HKL
Paper
C8 H6 N4 S2P -15.6832; 7.4639; 11.7473
91.524; 95.245; 106.024
476.24Wzgarda-Raj, Kinga; Dominikowska, Justyna; Husik, Natallia; Rybarczyk-Pirek, Agnieszka J
2,2'-Dithiobispyrazine: about the disulfide bond.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312301 CIF
HKL
Paper
C15 H17 N O4P 1 21/c 111.7637; 11.746; 10.3316
90; 111.384; 90
1329.31Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe
A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312302 CIF
HKL
Paper
C15 H16 N2 O6P 1 21/n 17.4993; 18.5051; 10.761
90; 99.628; 90
1472.33Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe
A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312303 CIF
HKL
Paper
C18 H28 N2 O10 S2P b c a10.6328; 8.5651; 23.8669
90; 90; 90
2173.6Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe
A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312304 CIF
HKL
Paper
C14 H19 N O7 SP 1 21/c 117.4085; 11.9234; 7.6779
90; 95.273; 90
1586.95Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe
A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312305 CIF
HKL
Paper
C6 H12 Bi O9P -17.6518; 8.2376; 9.6402
102.414; 93.1; 115.838
526.51Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.
Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312306 CIF
HKL
Paper
C8 H14 Bi2 O12P -17.8258; 9.6629; 10.1924
81.457; 75.553; 77.881
725.97Timakova, Evgeniya V.; Afonina, Liubov I.; Drebushchak, Tatiana N.; Zakharov, Boris A.
Two new bismuth salts with succinic acid: synthesis, structural, spectroscopic and thermal characterization.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312307 CIF
HKL
Paper
C81 H58 Cl2 O38 P2C 1 2/c 128.778; 16.511; 34.938
90; 108.189; 90
15771Som, Shubham; Hasija, Avantika; Chopra, Deepak
From liquid to crystal via mechanochemical grinding: unique host-guest (HOF) cocrystal.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312308 CIF
HKL
Paper
C16 H12 N2 O10 Tc2P n a 2118.116; 10.359; 12.148
90; 90; 90
2280Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.
X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312309 CIF
HKL
Paper
C18 H16 N2 O8 Tc2P n a 2118.116; 10.359; 12.148
90; 90; 90
2280Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A.
X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312310 CIF
HKL
Paper
C10 H15 Cl N6 O4P -18.3769; 8.7294; 9.7804
74.8391; 79.5481; 78.3934
669.88Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.
Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312311 CIF
HKL
Paper
C11 H16 N6 O6P 1 21/c 18.2567; 12.7736; 13.2612
90; 102.433; 90
1365.8Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.
Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312312 CIF
HKL
Paper
C4 H11 N5 O5 SP 1 21/n 19.0198; 10.1953; 9.8987
90; 103.305; 90
885.85Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.
Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312313 CIF
HKL
Paper
C11 H15 N7 O8P -16.977; 10.5805; 11.217
83.491; 87.651; 80.623
811.5Sangavi, Marimuthu; Kumaraguru, Narayanasamy; McMillen, Colin D.; Butcher, Ray J.
Supramolecular interactions in some organic hydrated 2,4,6-triaminopyrimidinium carboxylate and sulfate salts.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312314 CIF
HKL
Paper
C34 H22 N4P -18.5339; 11.8471; 13.2628
87.563; 71.508; 85.627
1267.72Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying
Synthesis, structures and properties of two donor-acceptor acridone-based compounds.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312315 CIF
HKL
Paper
C34 H20 N4P 1 21/c 111.7306; 7.1509; 29.769
90; 96.28; 90
2482.2Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying
Synthesis, structures and properties of two donor-acceptor acridone-based compounds.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312316 CIF
HKL
Paper
C44 H52 Cu2 K2 O4P -19.6864; 10.484; 10.658
66.22; 89.67; 82.73
981.3Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
Crystal structure and synthesis of the bis(anthracene)dicuprate dianion as the dipotassium salt, [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-η<sup>2</sup>-anthracene)}<sub>2</sub>], the first anionic arene complex of copper.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 456-463
2312321 CIF
HKL
Paper
C13 H12 F3 N3 O SP 1 21/c 17.2418; 28.0107; 7.3569
90; 116.29; 90
1337.97Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz
Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312322 CIF
HKL
Paper
C13 H12 F3 N3 O SP 1 21/c 16.1727; 27.9473; 7.6297
90; 90.123; 90
1316.2Pyrih, Andrii; Łapiński, Andrzej; Zięba, Sylwia; Mizera, Adam; Lesyk, Roman; Gzella, Andrzej K.; Jaskolski, Mariusz
Proton tautomerism and stereoisomerism in 5-[(dimethylamino)methylidene]-4-[3/4-(trifluoromethylphenyl)amino]-1,3-thiazol-2(5H)-ones: synthesis, crystal structure and spectroscopic studies.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312323 CIF
HKL
Paper
C16 H16 Br N3P -17.8073; 9.8003; 10.79
72.964; 85.084; 74.448
760.44Moreno-Suárez, Erika; Avila-Acosta, Rafael; Sánchez-Ramírez, Karen; Castillo, Juan Carlos; Macías, Mario A
Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.
Acta crystallographica. Section C, Structural chemistry, 2023, 79
2312333 CIF
HKL
Paper
C32 H28 Cl6 N8 RuP -111.2435; 11.4038; 13.634
74.278; 75.995; 84.642
1631.99Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon
Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 491-496
2312334 CIF
HKL
Paper
C31 H25 Cl4 F6 N8 Ru SbP 1 21/n 18.3209; 27.3213; 15.7839
90; 99.554; 90
3538.5Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon
Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 491-496
2312347 CIF
HKL
Paper
C30 H26 Cl3 N O4P 1 21 110.0732; 10.0051; 14.7474
90; 109.945; 90
1397.15Czapik, Agnieszka; Kwit, Marcin
Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 745-756
2312348 CIF
HKL
Paper
C30 H27 Cl2 N O4P 1 21 110.04475; 9.82563; 14.59465
90; 108.742; 90
1364.05Czapik, Agnieszka; Kwit, Marcin
Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 745-756
2312349 CIF
HKL
Paper
C30 H26 Cl3 N O4P 21 21 29.27898; 32.3574; 9.96336
90; 90; 90
2991.44Czapik, Agnieszka; Kwit, Marcin
Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 745-756
2312350 CIF
HKL
Paper
C29.1 H25.2 Cl0.2 N O4P 21 21 219.28862; 10.34013; 24.3525
90; 90; 90
2338.95Czapik, Agnieszka; Kwit, Marcin
Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 745-756
2312351 CIF
HKL
Paper
C30.5 H26.5 Cl4.5 N O4P 1 21/c 110.00099; 9.33129; 31.8959
90; 90.4958; 90
2976.48Czapik, Agnieszka; Kwit, Marcin
Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
Acta crystallographica. Section C, Structural chemistry, 2021, 77, 745-756
2312363 CIF
HKL
Paper
C10 H16 Cl2 Co0.2 N4 Zn0.8C 1 2/c 115.0191; 8.304; 23.9862
90; 95.8239; 90
2976.08Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek
An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 520-529
2312364 CIF
HKL
Paper
C20 H30 Br1.4 Cl0.6 Co0.2 N8 Zn1.8P -18.2698; 8.406; 10.3062
84.826; 69.156; 87.133
666.7Adach, Anna; Tyszka-Czochara, Małgorzata; Daszkiewicz, Marek
An efficient one-pot synthesis of pyrazole complexes formed in situ: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 520-529
2312365 CIF
HKL
Paper
C14 H14 N2 O6 UP 1 21/n 17.734; 19.01; 10.6154
90; 96.106; 90
1551.9Whittington, 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
2312366 CIF
HKL
Paper
C34 H36 N6 O15 U3P 1 21/n 113.809; 12.6324; 23.699
90; 103.412; 90
4021.3Whittington, 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
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
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
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
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
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
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
2312397 CIF
Paper
C58 H52 N4 O8P 21 21 2133.5486; 26.4223; 5.36515
90; 90; 90
4755.84Guerain, Mathieu; Correia, Natalia T.; Roca-Paixão, Luisa; Chevreau, Hubert; Affouard, Frederic
Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 37-42
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
2312417 CIF
Paper
C6 H12 O6P 1 21/n 16.61708; 12.0474; 18.88721
90; 93.9791; 90
1502.03Wood, 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
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
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
2312420 CIF
HKL
Paper
C17 H12 N6P b c a8.5626; 18.701; 19.024
90; 90; 90
3046.3Song, 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
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
2312424 CIF
HKL
Paper
C18 H14 N6P b c a15.7069; 11.8266; 17.5763
90; 90; 90
3265Song, 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
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
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
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
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
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
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
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
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
2312465 CIF
Paper
C12 H13 N3 O4 SP c c n12.6592; 28.3597; 7.1268
90; 90; 90
2558.6Kennedy, 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
2312468 CIF
Paper
C16 H22 K N3 O7 SP 1 21/n 19.4006; 12.1583; 34.4743
90; 95.496; 90
3922.14Kennedy, 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
2312469 CIF
Paper
C12 H9 K N2 O4 SP c c n12.5535; 27.9698; 6.9982
90; 90; 90
2457.2Kennedy, 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
2312470 CIF
Paper
C13 H14 O5P 21 21 214.9524; 11.0302; 20.9007
90; 90; 90
1141.72Decato, Daniel; Palatinus, Lukáš; Stierle, Andrea; Stierle, Donald
Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
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
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
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
2312476 CIF
HKL
Paper
C6 H10 N8 O12P b c a21.4196; 6.1927; 21.9265
90; 90; 90
2908.44Domasevitch, Kostiantyn V.; Krautscheid, Harald
Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312477 CIF
HKL
Paper
C6 H12 N8 O13P 1 21/c 111.2164; 20.8114; 6.6646
90; 90.435; 90
1555.67Domasevitch, Kostiantyn V.; Krautscheid, Harald
Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
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
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
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
2312483 CIF
Paper
C12 H16 N2 O4P 41 21 211.1312; 11.1312; 10.894
90; 90; 90
1349.8González-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
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
2312504 CIF
HKL
Paper
C42 H30 Cl2 Mn N6 O8P 1 21/c 19.51026; 12.5149; 31.2962
90; 96.878; 90
3698.07Fajardo, 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
2312505 CIF
HKL
Paper
C42 H30 Cl2 N6 Ni O8P 1 21/c 19.3581; 12.6255; 31.4046
90; 97.038; 90
3682.52Fajardo, 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
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
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
2312509 CIF
Paper
C52 H68 Cu2 O24P c c n27.7701; 21.2278; 9.3888
90; 90; 90
5534.7Abrahams, 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
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
2312513 CIF
Paper
C85 H108 Cu4 N2 O32P n m a12.833; 54.548; 12.119
90; 90; 90
8483Abrahams, 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
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
2312517 CIF
Paper
C56 H52 Cu2 N4 O20P b c a17.5993; 16.4583; 19.7389
90; 90; 90
5717.46Abrahams, 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
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
2312519 CIF
Paper
C70 H120 Cu2 N4 O30P 1 c 19.7404; 20.3001; 22.9088
90; 118.494; 90
3981.1Abrahams, 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
2312520 CIF
Paper
C13 H18 N2 O3P 1 21/n 115.3994; 10.6592; 16.9261
90; 110.424; 90
2603.68Abrahams, 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
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
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
2312524 CIF
Paper
C3 H8 N2 O4P b c a9.9714; 9.8671; 11.1884
90; 90; 90
1100.81Hollenwäger, Dirk; Nitzer, Alexander; Bockmair, Valentin; Kornath, Andreas J.
The crystal structure of the ammonium salt of 2-aminomalonic acid.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 291-296
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
2312526 CIF
HKL
Paper
C13 H13 Cl N2 O3P 1 21/c 111.7399; 8.3731; 13.6779
90; 106.782; 90
1287.27Balasubramanian, 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
2312527 CIF
HKL
Paper
C49 H39 F6 N2 O P3 RuP 1 21/n 110.5442; 21.1741; 21.9326
90; 97.528; 90
4854.6Wysocki, 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
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
2312529 CIF
HKL
Paper
C51 H43 F6 N2 O P3 RuP 1 21/c 114.9624; 21.9572; 17.1148
90; 109.266; 90
5307.9Wysocki, 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
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
2312531 CIF
Paper
C19 H40 Cl2 I9 N2 O6P 1 21/n 113.831; 14.82; 20.266
90; 96.7; 90
4125.7Blake, 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
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
2312536 CIF
Paper
C26 H22 Mn O2 P SP 1 21/c 17.7281; 16.8523; 18.0339
90; 96.696; 90
2332.65Klein-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
2312537 CIF
Paper
C27 H23 Br Mn O2 P S2P b c a16.5563; 16.2392; 19.3372
90; 90; 90
5199Klein-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
2312538 CIF
Paper
C28 H25 Br Mn O2 P S3P 1 21/n 18.7717; 13.2135; 23.9428
90; 92.884; 90
2771.6Klein-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
2312539 CIF
Paper
C30 H30 Mn O2 P S5P 1 21/c 112.5274; 13.6748; 17.9841
90; 107.934; 90
2931.2Klein-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
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
2312541 CIF
HKL
Paper
C25 H21 Cl N2 O4 SP b c a10.792; 18.713; 23.299
90; 90; 90
4705.25Ma, 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
2312542 CIF
HKL
Paper
C25 H20 Cl F N2 O4 SP b c a10.536; 19.246; 23.343
90; 90; 90
4733.4Ma, 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
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
2312545 CIF
Paper
C12 H9 N O5P 1 21/c 113.0541; 13.4304; 13.1257
90; 115.354; 90
2079.57Palme, 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
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
2312547 CIF
HKL
Paper
C66 H106 Er N5 O17.5 S3P 1 21/n 115.3967; 30.6741; 16.0612
90; 90.172; 90
7585.35Araujo Junior, Cleber R.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Nunes, Wallace C.; Almeida, Adriele A de; Knobel, Marcelo; Julve, Miguel; Pereira, Cynthia L. M.
Crystal structure and cryomagnetic study of a mononuclear erbium(III) oxamate inclusion complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312548 CIF
HKL
Paper
C27 H22 Br2 Co N3 O2 S3P c a 2116.5337; 13.2578; 13.4575
90; 90; 90
2949.9Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu
A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312549 CIF
Paper
F7 Ge H2 NaP c a 2112.3786; 7.2189; 11.4969
90; 90; 90
1027.36Bockmair, Valentin; Hoch, Constantin; Schusterbauer, Irina; Kornath, Andreas J.
Na[GeF<sub>5</sub>]·2HF: the first quarternary phase in the H-Na-Ge-F system.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312550 CIF
Paper
C29 H40 O9P 21 21 219.2707; 15.2236; 20.0806
90; 90; 90
2834Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis
Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312551 CIF
Paper
C29 H40 O9P 21 21 219.302; 15.412; 20.191
90; 90; 90
2894.6Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis
Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A.
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
2312553 CIF
HKL
Paper
C14 H10 Br N3P n m a8.7734; 7.0554; 19.7544
90; 90; 90
1222.79Qin, 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
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
2312555 CIF
HKL
Paper
C6 H12 N6 O S2P 1 21/c 19.5521; 13.9524; 9.9961
90; 117.12; 90
1185.75Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin
The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312556 CIF
HKL
Paper
C45 H40 N13 S3P 1 21/c 125.5771; 11.7896; 13.6126
90; 92.484; 90
4100.9Wzgarda-Raj, Kinga; Olszewski, Adrian; Palusiak, Marcin
The pattern of bifurcated hydrogen bonds in thiourea cocrystals with diazine derivatives: experimental and quantum theoretical studies.
Acta crystallographica. Section C, Structural chemistry, 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
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
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
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
2312564 CIF
Paper
C16 H19 Cl N2 O2P 1 21/n 17.7936; 18.3639; 16.3922
90; 102.245; 90
2292.69Jaconelli, Harry S.; Kennedy, Alan R.
Salt forms of amides: protonation of acetanilide.
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
2312568 CIF
Paper
C16 H19 Br0.93 I3.07 N2 O2P 1 21/m 15.8956; 18.6224; 19.9632
90; 91.97; 90
2190.47Jaconelli, 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
2312573 CIF
HKL
Paper
C18 H14 Br2 N6 O ZnP n m a14.4614; 14.1299; 10.1503
90; 90; 90
2074.09Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312574 CIF
HKL
Paper
C18 H14 Br2 N6 O ZnP 1 21/m 19.9449; 14.1246; 14.3921
90; 93.216; 90
2018.44Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312575 CIF
HKL
Paper
C18 H14 Cl2 N6 O ZnP n m a14.1507; 14.0162; 9.8624
90; 90; 90
1956.1Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R.
Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide.
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
2312578 CIF
HKL
Paper
C20 H20 Br F4 I N4P 1 21/c 17.3898; 16.212; 9.4236
90; 106.304; 90
1083.58Bosch, 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
2312580 CIFC17 H19 Cl F18 O5 TiP 1 21/c 114.05; 10.701; 18.692
90; 108.45; 90
2665.9Van Der Sluys, William G.
Concerning the structures of Lewis base adducts of titanium(IV) hexafluoroisopropoxide.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312581 CIF
HKL
Paper
C15 H3 F18 Fe O6P 1 21/n 18.7659; 12.9796; 19.1759
90; 91.632; 90
2180.91Chang, 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
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
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
2312584 CIF
HKL
Paper
C9 H14 Cu N4 O7P 1 21/c 17.0587; 20.3107; 18.9523
90; 91.77; 90
2715.8Atencio, 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
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
2312586 CIF
HKL
Paper
C48 H72 Cu3 N24 O29P 1 21/c 17.7912; 12.5972; 32.481
90; 96.802; 90
3165.5Atencio, 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
2312588 CIF
HKL
Paper
C26 H31.6 Cl N4 O4.3 S2P 1 21/c 112.0993; 13.4307; 17.3586
90; 103.667; 90
2740.94Dival, 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
2312589 CIF
Paper
C45 H57 N25 Ti2P 1 21/c 111.6292; 22.6611; 22.3631
90; 93.857; 90
5880Bikzhanova, 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
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
2312591 CIF
Paper
C65.75 H70 N36 O Ta2P 1 21/n 122.5131; 25.5101; 26.7165
90; 101.383; 90
15041.8Bikzhanova, 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
2312598 CIF
HKL
Paper
C14 H12 N2 O11 ZnP 1 21/n 110.768; 5.0511; 29.334
90; 94.409; 90
1590.8Zhang, 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
2312599 CIF
Paper
C24 H12 B Cl N6P n m a12.0315; 14.8174; 10.3002
90; 90; 90
1836.3Zigelstein, 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
2312600 CIF
Paper
C24 H12 B Br N6P n m a12.001; 15.0617; 10.3879
90; 90; 90
1877.67Zigelstein, 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
2312601 CIF
Paper
C25 H15 B N6 OP n m a12.3162; 15.2325; 10.4151
90; 90; 90
1953.9Zigelstein, 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
2312602 CIF
Paper
C26 H17 B N6 OP 1 21/n 19.0313; 14.22; 16.474
90; 102.667; 90
2064.2Zigelstein, 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
2312603 CIF
Paper
C26 H17 B N6 OP 1 21/n 19.0304; 14.2423; 16.4452
90; 102.476; 90
2065.1Zigelstein, 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
2312604 CIF
Paper
C26 H14 B F3 N6 OP 1 21/c 110.4664; 15.4986; 14.3171
90; 110.221; 90
2179.3Zigelstein, 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
2312605 CIF
Paper
C28 H21 B N6 OP b c a14.6398; 15.2842; 20.5313
90; 90; 90
4594Zigelstein, 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
2312606 CIF
Paper
C28 H21 B N6 OP 1 21/c 114.3815; 8.2702; 19.866
90; 102.074; 90
2310.55Zigelstein, 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
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
2312609 CIF
Paper
C34 H19 B N6 OP n m a17.133; 13.929; 10.3669
90; 90; 90
2474Zigelstein, 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
2312611 CIF
Paper
C31 H17 B N6 O2P 1 21/c 115.671; 11.192; 15.2363
90; 115.386; 90
2414.3Zigelstein, 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
2312612 CIF
Paper
C27 H21 B N6 O SiP 1 21/c 116.343; 11.9655; 12.5059
90; 99.996; 90
2408.4Zigelstein, 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
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
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
2312616 CIF
Paper
C31 H20 B N7P 1 21/c 110.3502; 20.7509; 12.2816
90; 114.734; 90
2395.8Zigelstein, 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
2312617 CIF
Paper
C4 H12 Ca O10P 21 21 219.1587; 9.5551; 10.5041
90; 90; 90
919.24Polo, Alvaro; Soriano, Alejandro; Rodríguez, Ricardo; Macías, Ramón; García-Orduña, Pilar; Sanz Miguel, Pablo J.
Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312618 CIF
HKL
Paper
C24 H35 N2 O6.5P 21 21 218.1508; 11.0066; 25.7084
90; 90; 90
2306.37Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong
Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312619 CIF
HKL
Paper
C22 H32 N2 O5P 21 21 219.2999; 12.7329; 17.5349
90; 90; 90
2076.39Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong
Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.
Acta crystallographica. Section C, Structural chemistry, 2024, 80
2312620 CIF
HKL
Paper
C15 H27.5 N2 O2.75P 43 21 211.7364; 11.7364; 21.9295
90; 90; 90
3020.64Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong
Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.
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
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
2312649 CIF
HKL
Paper
C26 H29 N7 O4P 1 21/c 15.6392; 13.4963; 31.968
90; 92.79; 90
2430.1Mohana, 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, 734-741
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, 734-741
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, 734-741
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, 734-741
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, 716-727
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, 716-727
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, 716-727
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, 716-727
2312657 CIF
Paper
C22 H18 Fe S2P m n 2114.0977; 7.1607; 8.8504
90; 90; 90
893.44Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 716-727
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, 716-727
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
2312660 CIF
HKL
Paper
C30 H28 N4 O4 S2 Zn2P 1 21/c 111.745; 31.0516; 8.5857
90; 108.777; 90
2964.6Anaya-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
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, 698-706
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
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, 728-733
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
2312666 CIF
HKL
Paper
C20 H15 N5P b c 214.8448; 25.9645; 26.5071
90; 90; 90
3334.4Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie
Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 748-760
2312667 CIF
HKL
Paper
C20 H15 Cd Cl2 N5R -3 c :H34.6379; 34.6379; 18.4784
90; 90; 120
19199.9Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie
Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 748-760
2312668 CIF
HKL
Paper
C56 H85 B Ce Cl O8P 1 21/n 113.6042; 12.5699; 32.334
90; 90.041; 90
5529.2Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A.
Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 761-765
2312669 CIF
HKL
Paper
C56 H85 B Ce Cl O8P 1 21/n 113.7578; 12.5548; 32.8512
90; 90.336; 90
5674.2Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A.
Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 761-765
2312670 CIF
HKL
Paper
C24 H14 Br6 N6 O2P -14.6374; 11.0096; 13.0262
93.42; 94.065; 90.317
662.18Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J
X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 52-60
2312671 CIF
HKL
Paper
C24 H18 N8 O6P 1 21/c 13.8067; 21.3885; 14.2669
90; 107.835; 90
1105.78Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J
X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 52-60
2312672 CIF
HKL
Paper
C18 H14 N8 O4 SP -110.8081; 13.0756; 15.672
100.946; 107.154; 110.429
1874.13Wzgarda-Raj, Kinga; Dominikowska, Justyna; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J
X-ray studies of three 3,6-bis(pyridin-2-yl)-1,2,4,5-tetrazine cocrystals: an unexpected molecular conformation stabilized by hydrogen bonds.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 52-60
2312673 CIF
Paper
C26 H24 F6 N4 O6 S4P 1 21/c 17.7776; 22.5823; 18.2338
90; 99.329; 90
3160.16Steinke, Tim; Engelage, Elric; Huber, Stefan M.
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 26-35
2312674 CIF
Paper
C27 H26 Cl F6 N4 O6 S2 Se2P -19.3672; 13.3265; 13.6445
102.515; 93.231; 96.198
1647.49Steinke, Tim; Engelage, Elric; Huber, Stefan M.
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 26-35
2312675 CIF
Paper
C26 H24 F6 N4 O6 S2 Se2P 1 21/c 113.8634; 7.7558; 29.3266
90; 94.246; 90
3144.59Steinke, Tim; Engelage, Elric; Huber, Stefan M.
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 26-35
2312676 CIF
Paper
C26 H24 F6 N4 O6 S2 Se2P 1 21/c 17.74775; 13.12863; 31.27496
90; 90.6141; 90
3181.02Steinke, Tim; Engelage, Elric; Huber, Stefan M.
Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors.
Acta crystallographica. Section C, Structural chemistry, 2023, 79, 26-35

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