Crystallography Open Database

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2022256 CIF
HKL
Paper
C24 H48 Mg N6 O26 S4C 1 2/c 136.896; 6.7806; 17.914
90; 111.178; 90
4179Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022257 CIF
HKL
Paper
C14 H25 Ba N3 O13 S2P b c a7.1293; 18.8368; 34.752
90; 90; 90
4667Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.
Structures of five salt forms of disulfonated monoazo dyes
Acta Crystallographica Section C, 2020, 76, 972-981
2022258 CIF
HKL
Paper
C8 H10 N8 S2C 1 c 112.3766; 10.7745; 9.205
90; 104.777; 90
1186.9Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022259 CIF
HKL
Paper
C9 H12 N8 S2F d d 236.9868; 15.5842; 4.2131
90; 90; 90
2428.47Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022260 CIF
HKL
Paper
C6 H10 N4 O SP 1 21/c 18.6783; 9.1691; 11.4391
90; 97.846; 90
901.71Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022261 CIF
HKL
Paper
C4 H5 K N4 O2 SP -16.9631; 8.035; 8.0886
103.021; 111.568; 106.007
376.56Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
Acta Crystallographica Section C, 2020, 76, 992-999
2022262 CIF
HKL
Paper
C13 H10.5 Cl2 N3.5 O2 PtC 2 2 217.4469; 27.9271; 14.3092
90; 90; 90
2975.89Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.
Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity
Acta Crystallographica Section C, 2020, 76
2022263 CIF
HKL
Paper
C25 H36 Cd N4 O8P 1 21/c 19.0047; 16.5608; 19.4709
90; 107.493; 90
2769.3Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
Acta Crystallographica Section C, 2020, 76
2022264 CIF
HKL
Paper
C19 H27 Cd N2 O5P -18.2423; 10.6568; 12.4175
105.466; 92.7; 103.416
1015.6Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin
Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^
Acta Crystallographica Section C, 2020, 76
2022265 CIF
HKL
Paper
C32 H31 Br N2 O2P 21 21 2111.1584; 13.6425; 36.061
90; 90; 90
5489.5Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022266 CIF
HKL
Paper
C36 H35 Br N2 O6P 1 21 116.4556; 10.3205; 20.1636
90; 109.183; 90
3234.2Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022267 CIF
HKL
Paper
C17 H14 Br N OP 21 21 214.3606; 10.82; 29.886
90; 90; 90
1410.1Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022268 CIF
HKL
Paper
C39 H39.34 Br N2 O5.17P 1 21 112.6384; 7.9259; 17.5249
90; 99.845; 90
1729.63Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022269 CIF
HKL
Paper
C40.48 H41.23 Br N2.74 O5P 1 21 112.8661; 8.0386; 17.4704
90; 101.093; 90
1773.12Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.
Crystal structures of salts of bedaquiline
Acta Crystallographica Section C, 2020, 76
2022270 CIF
HKL
Paper
C19 H17 Cl2 N O2P 1 21 13.96521; 16.7005; 12.4252
90; 91.185; 90
822.63Alsafi, Mona A.; Hughes, David L.; Said, Musa A.
First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study
Acta Crystallographica Section C Structural Chemistry, 2020, 76
2022271 CIF
HKL
Paper
C28 H32 Ca3 N4 O29P -16.9363; 15.9791; 16.9786
90.844; 93.106; 98.296
1858.93Lumpe, Henning; Mayer, Peter; Daumann, Lena J.
Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment
Acta Crystallographica Section C, 2020, 76
2022272 CIF
HKL
Paper
C8 H20 Cl3 Mo O3P 21 21 218.6186; 12.25; 13.5681
90; 90; 90
1432.5Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel
Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)
Acta Crystallographica Section C, 2020, 76, 947-951
2022273 CIF
HKL
Paper
C20 H30 N4 O8P 1 21/c 111.071; 18.892; 13.115
90; 123.29; 90
2292.9Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos
Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O
Acta Crystallographica Section C, 2020, 76
2022274 CIF
HKL
Paper
C48 H42 Mo6 N4 O32P n n m19.3159; 15.0183; 19.6537
90; 90; 90
5701.4Chen, Wen-Tong
Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin
Acta Crystallographica Section C, 2020, 76
2022275 CIF
HKL
Paper
C22 H16 N3 O4.5 ZnP 1 21/n 111.0556; 9.5218; 18.2923
90; 100.732; 90
1891.9Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun
Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing
Acta Crystallographica Section C, 2020, 76
2022276 CIF
HKL
Paper
C30 H22 Cu N2 O6P -111.0642; 11.1234; 11.6697
61.912; 86.182; 80.602
1249.97Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun
Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing
Acta Crystallographica Section C, 2020, 76
2022277 CIF
HKL
Paper
C66 H56 O10P -113.574; 13.829; 14.657
79.013; 87.544; 83.381
2682.3Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022278 CIF
HKL
Paper
C30 H32 O10P 1 21/n 112.147; 20.697; 12.702
90; 117.432; 90
2834Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022279 CIF
HKL
Paper
C24 H14 F6 O4C 1 2/c 130.399; 9.176; 14.994
90; 97.204; 90
4149Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022280 CIF
HKL
Paper
C38 H32 O6P -110.239; 13.056; 23.923
86.992; 89.198; 73.621
3064Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022281 CIF
HKL
Paper
C26 H24 O6P 1 21/n 19.033; 6.427; 37.08
90; 91.948; 90
2151.4Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022282 CIF
HKL
Paper
C24 H14 F6 O4I 1 2/a 123.308; 7.132; 27.253
90; 112.62; 90
4182Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea
Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates
Acta Crystallographica Section C, 2020, 76
2022283 CIF
HKL
Paper
C27 H24 N2 O9P 1 21 113.5302; 4.6101; 19.3371
90; 103.603; 90
1172.33Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.
Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality
Acta Crystallographica Section C, 2020, 76, 1100-1107
2022284 CIF
HKL
Paper
C27 H23 Cl N2 O9C 1 2 140.6637; 4.52749; 12.7049
90; 98.027; 90
2316.11Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D.
Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality
Acta Crystallographica Section C, 2020, 76, 1100-1107
2022285 CIF
HKL
Paper
C8 H18 F2 I4 N2 PbP 1 21/c 113.6842; 8.5302; 8.9518
90; 107.996; 90
993.81Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong
A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]
Acta Crystallographica Section C, 2020, 76, 1096-1099
2022286 CIF
HKL
Paper
C14 H11 I N2 O SP -16.241; 7.242; 16.709
84.408; 89.142; 65.933
686.02Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022287 CIF
HKL
Paper
C14 H11 I N2 O SP 1 c 14.5639; 15.375; 19.355
90; 91.404; 90
1357.7Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022288 CIF
HKL
Paper
C14 H11 I N2 O SP -14.4279; 13.0767; 13.441
61.622; 86.203; 85.241
682.06Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022289 CIF
HKL
Paper
C14 H11 Br N2 O SP 1 21/n 13.9592; 15.142; 22.25
90; 95.183; 90
1328.4Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022290 CIF
HKL
Paper
C14 H11 Br N2 O SP 1 c 14.6404; 15.017; 19.074
90; 91.052; 90
1328.9Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
Acta Crystallographica Section C, 2021, 77, 11-19
2022291 CIF
HKL
Paper
Li2 Pb S4 SiI -4 2 m6.4618; 6.4618; 7.7333
90; 90; 90
322.903Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A.
Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure
Acta Crystallographica Section C, 2021, 77, 1-10
2022292 CIF
HKL
Paper
C12 H11 N5 OP 1 21/c 14.4041; 27.8787; 9.3533
90; 100.816; 90
1128Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.
Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2021, 77, 20-28
2022293 CIF
HKL
Paper
C12 H11 N5 OP b c a12.2191; 8.1593; 22.788
90; 90; 90
2271.9Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.
Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole
Acta Crystallographica Section C, 2021, 77, 20-28
2022295 CIF
HKL
Paper
C13 H10 Br N OP c a 2112.2768; 4.4829; 19.6694
90; 90; 90
1082.52Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism
Acta Crystallographica Section C, 2020, 76, 1001-1004
2022296 CIF
HKL
Paper
C13 H10 Br N OC 1 c 125.8944; 6.9439; 6.1499
90; 91.381; 90
1105.48Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.
(<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism
Acta Crystallographica Section C, 2020, 76, 1001-1004
2022297 CIF
HKL
Paper
C11 H10 N2 O2 SP 21 21 213.9876; 10.6511; 25.107
90; 90; 90
1066.4Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.
Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study
Acta Crystallographica Section C, 2021, 77, 40-48
2022298 CIF
HKL
Paper
C11 H10 N2 O2 SP b c a6.921; 7.2371; 42.396
90; 90; 90
2123.5Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.
Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study
Acta Crystallographica Section C, 2021, 77, 40-48
2022299 CIF
HKL
Paper
C14 H14 N2 O3C 1 2/c 143.803; 4.6835; 12.2643
90; 96.105; 90
2501.8Sugiyama, Haruki; Uekusa, Hidehiro
Two-step crystal‒crystal phase transformation of <i>N</i>-salicylidene-<i>p</i>-aminobenzoic acid by gas‒solid reaction with aqua‒ammonia vapour
Acta Crystallographica Section C, 2021, 77, 56-60
2022300 CIF
HKL
Paper
C16 H14 N8 S6C 1 2/c 112.3039; 6.4431; 25.9547
90; 94.145; 90
2052.18Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms
Acta Crystallographica Section C, 2021, 77, 49-55
2022301 CIF
HKL
Paper
C11 H13 N5 O S3P 1 21/c 124.5777; 8.9406; 13.3772
90; 93.313; 90
2934.59Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin
Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms
Acta Crystallographica Section C, 2021, 77, 49-55
2022302 CIF
HKL
Paper
C12 H10 N6P 1 21/c 113.7529; 6.6451; 12.2086
90; 93.634; 90
1113.49Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022303 CIF
HKL
Paper
C26 H24 Cl8 N12 Zn2C 1 2/c 130.503; 8.8791; 15.4063
90; 116.856; 90
3722.6Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022304 CIF
HKL
Paper
C50 H42 Cl14 N24 Zn4P 1 21/n 113.414; 18.504; 14.674
90; 105.834; 90
3504Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022305 CIF
HKL
Paper
C26 H24 Cl4 I4 N12 Zn2C 1 2/c 130.312; 9.461; 15.434
90; 114.625; 90
4024Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022306 CIF
HKL
Paper
C13 H11 Cl3 I2 N6 ZnP -19.804; 11.35; 11.35
69.43; 65.912; 65.912
1026Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
Acta Crystallographica Section C, 2021, 77, 29-39
2022307 CIF
HKL
Paper
C70 H70 Cl4 Cu4 I4 N2 O2 P4P -111.95; 12.443; 13.06
83.43; 86.3; 83.76
1915.1Cao, Bing-Jun; Li, Ran; Huang, Xi-He
Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands
Acta Crystallographica Section C, 2021, 77, 61-67
2022308 CIF
HKL
Paper
C68 H66 Cu4 I4 N2 O2 P4P -111.981; 12.996; 13.23
62.49; 68.32; 83.71
1693.1Cao, Bing-Jun; Li, Ran; Huang, Xi-He
Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands
Acta Crystallographica Section C, 2021, 77, 61-67
2022309 CIF
HKL
Paper
C14 H38 Cl4 N2 SnP 1 21/n 110.9199; 13.1459; 17.8167
90; 107.328; 90
2441.54Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan
Conformational analysis of two new organotin(IV) structures completed with a CSD survey
Acta Crystallographica Section C, 2021, 77, 68-80
2022310 CIF
Paper
C44 H48 Cl8 N6 O2 P2 SnP 1 21/n 115.4589; 8.1983; 20.6655
90; 106.556; 90
2510.49Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan
Conformational analysis of two new organotin(IV) structures completed with a CSD survey
Acta Crystallographica Section C, 2021, 77, 68-80
2022311 CIFC22 H30 O4P 21 21 2111.4069; 17.9819; 19.1565
90; 90; 90
3929.3Skell, Jeffrey M.; Kahn, Michael; Foxman, Bruce M.
Δ^9^-Tetrahydrocannabinolic acid A, the precursor to Δ^9^-tetrahydrocannabinol (THC)
Acta Crystallographica Section C, 2021, 77, 84-89
2022312 CIF
HKL
Paper
Al3 Ce2 Ge4C m c e6.0581; 15.045; 7.94
90; 90; 90
723.7Tobash, Paul; Bobev, Svilen
The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data
Acta Crystallographica Section C, 2021, 77, 81-83
2022313 CIF
HKL
Paper
C14 H12 K2 O14P 1 21/c 18.3359; 17.0987; 6.5405
90; 110.687; 90
872.13Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine
Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties
Acta Crystallographica Section C, 2021, 77, 90-99
2022314 CIF
HKL
Paper
C12 H8 O14 Sr2P -17.0691; 7.8482; 7.9767
99.938; 107.918; 101.824
398.74Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine
Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties
Acta Crystallographica Section C, 2021, 77, 90-99
2022315 CIF
HKL
Paper
C11 H15 N3 O2P 1 21/c 19.874; 4.5259; 24.792
90; 94.393; 90
1104.7McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022316 CIF
HKL
Paper
C11 H15 Cl2 Mn N3 O2P -112.9256; 14.278; 17.022
75.82; 78.056; 73.644
2890.1McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022317 CIF
HKL
Paper
C26 H30 Mn2 N10 O4 S4P 1 21/c 17.2639; 24.655; 9.471
90; 98.994; 90
1675.3McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022318 CIF
HKL
Paper
C13 H23 Cl2 Mn N3 O4P 1 21/c 110.9211; 12.0382; 15.3331
90; 109.83; 90
1896.3McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022319 CIF
HKL
Paper
C15 H25.6 Cl2 Mn N3 O3.3P 1 21/c 114.4544; 8.6208; 16.9691
90; 112.426; 90
1954.58McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022320 CIF
HKL
Paper
C20 H30 Mn N6 O3 S2P 1 21/c 18.5916; 8.2974; 35.1501
90; 91.731; 90
2504.6McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022321 CIF
HKL
Paper
C23 H37 Mn N7 O4 S2P 1 21/c 114.9551; 11.0509; 18.4767
90; 100.043; 90
3006.8McKee, Vickie; Kose, Muhammet
Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
Acta Crystallographica Section C, 2021, 77, 100-110
2022322 CIF
HKL
Paper
C24 H20 N4C 1 2/c 129.76986; 8.91767; 14.70912
90; 99.2973; 90
3853.65Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.
Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane
Acta Crystallographica Section C, 2021, 77, 111-115
2022323 CIF
HKL
Paper
C30 H26 Cl2 N4 O3P 1 21/c 113.8413; 8.9901; 21.868
90; 103.683; 90
2643.91Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.
Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane
Acta Crystallographica Section C, 2021, 77, 111-115
2022324 CIF
HKL
Paper
C28 H23 N7 O13P 1 21 17.4532; 8.26902; 23.1876
90; 97.362; 90
1417.29Marczak, Maria; Biereg, Kinga; Zadykowicz, Beata; Sikorski, Artur
Structural characterization and theoretical calculations of the monohydrate of the 1:2 cocrystal salt formed from acriflavine and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2021, 77, 116-122
2022325 CIF
HKL
Paper
C6 H6 Br Cl N2 O2P 21 21 215.72152; 7.90017; 20.2729
90; 90; 90
916.35Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022326 CIF
HKL
Paper
C6 H7 Cl N2 O6 SP 1 21/c 116.1771; 4.95335; 12.8431
90; 101.584; 90
1008.17Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022327 CIF
HKL
Paper
C7 H9 Br N2 O2P -16.892; 7.7281; 8.921
76.646; 73.897; 76.045
436.12Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022328 CIF
HKL
Paper
C7 H9 I3 N2 O2P 1 21/n 17.084; 11.5247; 16.3921
90; 98.738; 90
1322.73Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022329 CIF
HKL
Paper
C7 H10 N2 O6 SP 1 21/n 17.0966; 8.3785; 17.5115
90; 100.185; 90
1024.81Medviediev, Volodymyr; Daszkiewicz, Marek
Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts
Acta Crystallographica Section C, 2021, 77, 125-136
2022330 CIF
HKL
Paper
C21 H19 N4 O3P 1 21/c 110.575; 17.149; 10.615
90; 108.434; 90
1826.3Fidan, Ismail; Onal, Emel; Hirel, Catherine
Nitroxide radicals appended to phthalonitriles: synthesis, structural characterization and photophysical properties
Acta Crystallographica Section C, 2021, 77
2022331 CIF
HKL
Paper
C34 H35 Fe2 O4 PP 21 21 217.631; 10.877; 36.025
90; 90; 90
2990.2Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022332 CIF
HKL
Paper
C32 H31 Fe2 O2 P SP 21 21 217.4923; 12.0133; 31.758
90; 90; 90
2858.45Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022333 CIF
HKL
Paper
C30 H29 Fe2 O P SP 21 21 217.5285; 17.6463; 39.3333
90; 90; 90
5225.4Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022334 CIF
HKL
Paper
C32 H33 Fe2 O3 P SP 21 21 217.8204; 17.835; 20.394
90; 90; 90
2844.5Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022335 CIF
HKL
Paper
C37 H36 Fe2 N P SP 21 21 2112.3578; 14.4342; 17.4796
90; 90; 90
3117.9Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022336 CIF
HKL
Paper
C30 H27 Fe2 P SP 1 21 18.4709; 14.1401; 21.031
90; 91.88; 90
2517.7Honegger, Philipp; Roller, Alexander; Widhalm, Michael
Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes
Acta Crystallographica Section C, 2021, 77, 152-160
2022337 CIF
HKL
Paper
C53 H66 Cl2 Cr2 N4 O2P 1 21/n 114.917; 13.299; 27.554
90; 104.074; 90
5302.1Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.
Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states
Acta Crystallographica Section C, 2021, 77, 161-166
2022338 CIF
HKL
Paper
C65 H89 Cl2 Cr2 K2 N4 O5P 1 21/n 117.554; 16.64; 22.267
90; 90.785; 90
6503.5Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.
Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states
Acta Crystallographica Section C, 2021, 77, 161-166
2022340 CIF
HKL
Paper
Co32.32 Ge13.68 Mn28P n n m12.6208; 15.6878; 4.8338
90; 90; 90
957.06Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin
Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system
Acta Crystallographica Section C, 2021, 77, 176-180
2022341 CIF
HKL
Paper
Co30.97 Ge13.25 Mn29.79P n n m12.6427; 15.6725; 4.8374
90; 90; 90
958.5Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin
Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system
Acta Crystallographica Section C, 2021, 77, 176-180
2022342 CIF
HKL
Paper
Ni3 Se2R 3 2 :H6.02813; 6.02813; 7.24883
90; 90; 120
228.12Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko
Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe
Acta Crystallographica Section C, 2021, 77, 169-175
2022343 CIF
HKL
Paper
Ni SeP 63/m m c3.66147; 3.66147; 5.35766
90; 90; 120
62.204Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko
Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe
Acta Crystallographica Section C, 2021, 77, 169-175
2022344 CIF
Paper
C8 H20 Cl4 O2 WP 1 21/n 17.5962; 11.4871; 9.0245
90; 106.339; 90
755.66Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel
A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)
Acta Crystallographica Section C, 2021, 77, 181-185
2022345 CIF
HKL
Paper
C21 H22 N O3 PP 1 21 111.6763; 7.2768; 22.3075
90; 96.6429; 90
1882.66Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022346 CIF
HKL
Paper
C21 H22 N O3 PP 1 21 111.6739; 7.2783; 22.3071
90; 96.638; 90
1882.64Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022347 CIF
HKL
Paper
C25 H28 F2 N3 O2 PP 21 21 214.9712; 20.1758; 22.7451
90; 90; 90
2281.29Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides
Acta Crystallographica Section C, 2021, 77, 186-196
2022348 CIF
HKL
Paper
C2 H4 Cl N3 O4P 1 21/m 15.1859; 11.8497; 9.6461
90; 96.153; 90
589.351Kumasaki, Mieko; Gontani, Saori; Mori, Kanae; Matsumoto, Shinya; Inoue, Kazuki
Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate
Acta Crystallographica Section C, 2021, 77, 197-201
2022349 CIF
HKL
Paper
C9 H13 N3 O4P 21 21 216.8378; 11.4334; 12.7595
90; 90; 90
997.53Budow-Busse, Simone; Chai, Yingying; Müller, Sebastian Lars; Daniliuc, Constantin; Seela, Frank
The α-<small>D</small>-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis
Acta Crystallographica Section C, 2021, 77, 202-208
2022350 CIF
HKL
Paper
C39 H46 N4 O6 SnP 1 21/c 19.4028; 25.1718; 15.5008
90; 93.3046; 90
3662.71Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022351 CIF
HKL
Paper
C40 H30 Br2 N4 O6 SnP 1 21/n 113.6816; 12.5767; 22.5401
90; 107.017; 90
3708.65Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022352 CIF
HKL
Paper
C50 H52 N2 O7 SnC 1 2/c 123.653; 10.1034; 20.5952
90; 115.072; 90
4458.02Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022353 CIF
HKL
Paper
C96 H136 N8 O16 Sn4P 1 21/c 111.8395; 24.2855; 17.3557
90; 93.2962; 90
4982Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022354 CIF
HKL
Paper
C72 H112 N4 O14 Sn4P -112.0054; 14.7309; 23.9132
76.3707; 75.5206; 88.1609
3977.81Linden, Anthony; Basu Baul, Tushar S.
Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Acta Crystallographica Section C, 2021, 77, 209-220
2022355 CIF
HKL
Paper
C39 H64 Br Cu4 N5 O23P -19.4872; 10.7297; 25.92
89.116; 87.262; 89.258
2635Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226
2022356 CIF
HKL
Paper
C19 H29 Br3 Cu3 N O6P 1 2/n 19.0572; 10.6773; 26.743
90; 95.505; 90
2574.3Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226
2022357 CIF
HKL
Paper
C19 H28 Br N O5 ZnP 1 21/n 111.5479; 14.7949; 12.3782
90; 99.813; 90
2083.9Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
Acta Crystallographica Section C, 2021, 77, 221-226

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