Search results

Formula: - C27 H18 Co N2 O8 -
Comments: Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 2475.3
Cell parameters: 11.6652; 20.9692; 11.0438; 90; 113.609; 90;

COD ID: 2022486

Formula: - C27 H18 N2 Ni O8 -
Comments: Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 2443.7
Cell parameters: 11.6277; 20.8495; 11.0075; 90; 113.689; 90;

COD ID: 2022487

Formula: - C13 H12 N4 S -
Comments: Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 1235.11
Cell parameters: 7.2214; 6.6059; 25.962; 90; 94.233; 90;

COD ID: 2022488

Formula: - C15 H16 N4 S -
Comments: Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C 78(1) (2022)
Space group: P b c a
Cell volume: 2939.14
Cell parameters: 15.8897; 10.9845; 16.8393; 90; 90; 90;

COD ID: 2022489

Formula: - C51 H45 Cl Cu N5 P2 S -
Comments: Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 4500.8
Cell parameters: 18.7299; 11.1592; 21.6646; 90; 96.296; 90;

COD ID: 2022490

Formula: - C18 H22 N8 Ni S2 -
Comments: Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P. Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 1018.97
Cell parameters: 7.6398; 14.393; 9.7339; 90; 107.823; 90;

COD ID: 2022492

Formula: - C17 H26 Cl N O -
Comments: Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 1707.19
Cell parameters: 17.0494; 6.9334; 15.241; 90; 108.635; 90;

COD ID: 2022493

Formula: - C16 H24 Cl N O -
Comments: Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/c 1
Cell volume: 1643.7
Cell parameters: 14.0379; 10.3133; 11.4344; 90; 96.829; 90;

COD ID: 2022494

Formula: - C13 H20 Cl N O -
Comments: Rojkiewicz, Marcin; Kuś, Piotr; Ksiażek, Maria; Kusz, Joachim Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD) Acta Crystallographica Section C 78(1) (2022)
Space group: P 1 21/n 1
Cell volume: 1407.94
Cell parameters: 7.1747; 7.8832; 24.9469; 90; 93.765; 90;

COD ID: 2022495

Formula: - C11 H10 N4 O7 S -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding N-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C 78(1) (2022) 7-13
Space group: P 1 21/n 1
Cell volume: 1367.83
Cell parameters: 9.8459; 10.953; 12.6881; 90; 91.524; 90;

COD ID: 2022496

Formula: - C11 H10 Cl N3 O5 S -
Comments: Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin A novel hydrogen-bonding N-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals Acta Crystallographica Section C 78(1) (2022) 7-13
Space group: P 1 21/n 1
Cell volume: 1357.8
Cell parameters: 7.392; 11.2356; 16.674; 90; 101.33; 90;

COD ID: 2022512

Formula: - C10 H18 N2 O8 -
Comments: Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood Thermal-induced transformation of glutamic acid to pyroglutamic acid and self-cocrystallization: a charge–density analysis Acta Crystallographica Section C Structural Chemistry 78(2) (2022)
Space group: P 1 21 1
Cell volume: 673.8
Cell parameters: 5.1153; 7.1849; 18.4639; 90; 96.817; 90;

COD ID: 2022513

COD ID: 2022515

Formula: - C27 H15 N3 O3 -
Comments: Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S. Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21/c 1
Cell volume: 1936.66
Cell parameters: 14.1863; 7.4446; 18.338; 90; 90.3606; 90;

COD ID: 2022516

Formula: - C24 H34 O2 Te -
Comments: Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts Acta Crystallographica Section C 78(2) (2022)
Space group: P b c n
Cell volume: 2365.37
Cell parameters: 9.3633; 14.2339; 17.7479; 90; 90; 90;

COD ID: 2022517

Formula: - C31.6 H17.4 Fe N15.8 -
Comments: Sünkel, Karlheinz; Blockhaus, Tobias Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of cis-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe] Acta Crystallographica Section C 78(2) (2022)
Space group: P -1
Cell volume: 1748.47
Cell parameters: 11.9972; 12.8711; 13.0907; 62.528; 82.929; 77.21;

COD ID: 2022518

Formula: - C16 H16 O S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 21 21 21
Cell volume: 1311.78
Cell parameters: 5.4591; 9.6001; 25.0301; 90; 90; 90;

COD ID: 2022519

Formula: - C16 H16 O S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 21 21 21
Cell volume: 1328.05
Cell parameters: 5.1311; 9.1135; 28.4; 90; 90; 90;

COD ID: 2022520

Formula: - C17 H18 O2 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21/n 1
Cell volume: 1432.09
Cell parameters: 14.0829; 7.749; 14.6419; 90; 116.329; 90;

COD ID: 2022521

Formula: - C17 H18 O2 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P n a 21
Cell volume: 1481.3
Cell parameters: 18.4026; 10.90882; 7.37881; 90; 90; 90;

COD ID: 2022522

Formula: - C17 H18 O2 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21/c 1
Cell volume: 2938.8
Cell parameters: 7.22965; 37.4539; 10.85314; 90; 90.0541; 90;

COD ID: 2022523

Formula: - C17 H18 O2 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 21 21 21
Cell volume: 1517.26
Cell parameters: 5.4341; 13.322; 20.9587; 90; 90; 90;

COD ID: 2022524

Formula: - C18 H20 O3 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 21 21 21
Cell volume: 1606.66
Cell parameters: 5.3187; 8.3866; 36.019; 90; 90; 90;

COD ID: 2022525

Formula: - C18 H20 O3 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21/n 1
Cell volume: 3197.7
Cell parameters: 10.927; 7.2754; 40.2818; 90; 93.094; 90;

COD ID: 2022526

Formula: - C18 H20 O3 S -
Comments: Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej Weak intermolecular interactions in a series of biologically active 4'-methylthio-trans-stilbenes Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21/n 1
Cell volume: 1632.22
Cell parameters: 12.252; 7.0563; 19.1866; 90; 100.261; 90;

COD ID: 2022527

Formula: - C25 H26 O13 -
Comments: Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C 78(2) (2022)
Space group: P 1 21 1
Cell volume: 1188.16
Cell parameters: 13.88124; 15.36081; 5.59335; 90; 94.9763; 90;

COD ID: 2022528
CIF file Original IUCr paper	Formula: - C25 H26 O13 - Comments: Kaduk, James A.; Boaz, Nicholas C.; Markun, Emma L.; Gindhart, Amy M.; Blanton, Thomas N. Cynarine monohydrate from synchrotron powder X-ray diffraction data Acta Crystallographica Section C 78(2) (2022) Space group: P 1 21 1 Cell volume: 1188.15 Cell parameters: 13.8811; 15.3608; 5.5934; 90; 94.98; 90;

COD ID: 2022529

Formula: - C11 H10 Br N O3 -
Comments: Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (Z)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C 78(2) (2022)
Space group: P -1
Cell volume: 1116.73
Cell parameters: 9.8671; 10.6765; 11.8719; 85.77; 86.907; 63.586;

COD ID: 2022530

Formula: - C19 H23 Br N2 O8 Zn2 -
Comments: Jiang, Tan-Lin; Li, Wei-Zhou; Gao, Qi-Feng; Tan, Deng-Feng; Pang, Jin-Ying; Zhang, Shu-Hua Syntheses, crystal structures and Hirshfeld surface analysis of (Z)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex Acta Crystallographica Section C 78(2) (2022)
Space group: P -1
Cell volume: 1166.95
Cell parameters: 8.03; 10.1184; 14.4723; 87.217; 89.232; 83.518;

COD ID: 2022531

Formula: - C16 H13 Gd N3 O8 -
Comments: Tiwari, Ranjay K.; Saini, Mukesh Kumar; Behera, Jogendra N.; Hussain, Firasat A three-dimensional gadolinium organic framework based on a pyridinedicarboxylic acid organic linker with a paddle-wheel-type network structure Acta Crystallographica Section C 78(2) (2022)
Space group: F d d d :2
Cell volume: 8593.4
Cell parameters: 17.9185; 18.0874; 26.5146; 90; 90; 90;

COD ID: 2022534

Formula: - C11 H19 Cl N4 Ni O2 -
Comments: Chang, Hsuan; Chen, Wen-Ching; Shen, Jiun-Shian; Ong, Tiow-Gan; Wang, Vincent C.-C.; Yap, Glenn P. A. Mirror-plane disorder in a nickel chloride Schiff base complex: a suitable case study for crystallographic instruction Acta Crystallographica Section C Structural Chemistry 78(3) (2022)
Space group: C m c e
Cell volume: 2694.3
Cell parameters: 14.3402; 14.2577; 13.1777; 90; 90; 90;

COD ID: 2022535

Formula: - C36 H48 K2 O4 V -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P 1 21/c 1
Cell volume: 3445.6
Cell parameters: 10.985; 17.243; 18.532; 90; 101.014; 90;

COD ID: 2022536

Formula: - C48 H76 K N2 O7 P2 V -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P 1 2 1
Cell volume: 1228.3
Cell parameters: 10.3028; 8.6409; 14.5778; 90; 108.835; 90;

COD ID: 2022537

Formula: - C104 H136 K2 O18 V2 -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 2381.2
Cell parameters: 9.1729; 9.3501; 27.928; 89.695; 88.67; 83.918;

COD ID: 2022538

Formula: - C55 H77 K O9 P V -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 2667
Cell parameters: 9.6431; 14.4883; 20.804; 74.992; 84.667; 71.815;

COD ID: 2022539

Formula: - C50 H76 K O8 P2 V -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 2561
Cell parameters: 12.4421; 13.9771; 15.1934; 97.35; 93.436; 101.178;

COD ID: 2022540

Formula: - C40 H44 Na O3 V2 -
Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 1620.6
Cell parameters: 10.9951; 12.0777; 13.502; 78.594; 68.517; 78.738;

COD ID: 2022541
CIF file Original IUCr paper	Formula: - C54 H42 Cu3 N12 O12 - Comments: Chen, Hui-Ru Synthesis, crystal structure and photocatalytic properties of a three-dimensional copper(II) metal–organic framework based on 1,3,5-tris(2-methylimidazol-1-yl)benzene Acta Crystallographica Section C 78(3) (2022) Space group: I a -3 Cell volume: 11045 Cell parameters: 22.27; 22.27; 22.27; 90; 90; 90;

COD ID: 2022542

Formula: - C14 H14 N4 O5 -
Comments: Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank 8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence Acta Crystallographica Section C 78(3) (2022)
Space group: P 21 21 21
Cell volume: 1335.89
Cell parameters: 5.3043; 11.1405; 22.6067; 90; 90; 90;

COD ID: 2022543

Formula: - C26 H32 N2 O8 -
Comments: Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 1220.5
Cell parameters: 8.697; 9.203; 15.916; 75.369; 82.049; 89.151;

COD ID: 2022544

Formula: - C24 H28 N2 O7 -
Comments: Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C 78(3) (2022)
Space group: P b c a
Cell volume: 4345
Cell parameters: 16.208; 14.849; 18.052; 90; 90; 90;

COD ID: 2022545

Formula: - C24 H28 N2 O7 -
Comments: Smith, Gary L. N.; Taylor, Richard W. Synthesis and structures of three benzoannelated macrobicyclic diamides Acta Crystallographica Section C 78(3) (2022)
Space group: P 1 21 1
Cell volume: 2210.8
Cell parameters: 7.6238; 23.318; 12.655; 90; 100.677; 90;

COD ID: 2022546

Formula: - C20 H32 Ag B F4 N8 S2 -
Comments: Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 1320.11
Cell parameters: 10.1813; 10.2237; 15.0154; 73.446; 82.398; 61.781;

COD ID: 2022547

Formula: - C13 H20 Ag N5 S2 -
Comments: Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C 78(3) (2022)
Space group: P -1
Cell volume: 836.19
Cell parameters: 8.4426; 8.5739; 11.8497; 96.585; 99.023; 95.313;

COD ID: 2022548

Formula: - C19 H32 Ag2 B F4 N5 S5 -
Comments: Blake, Alexander J.; Lippolis, Vito; Schroder, Martin Coordination chemistry of nitrile-functionalized mixed thia-aza macrocycles [9]aneN~2~S and [9]aneNS~2~ towards silver(I) Acta Crystallographica Section C 78(3) (2022)
Space group: C 1 2/c 1
Cell volume: 5677.7
Cell parameters: 28.537; 8.4362; 27.216; 90; 119.94; 90;

COD ID: 2022566

Formula: - C11 H10 N2 O4 S -
Comments: Shahbaz, Muhammad; Khan, Umair Ahmed; Chaudhary, M. Iqbal; Yousuf, Sammer A new bioactive cocrystal of coumarin-3-carboxylic acid and thiourea: detailed structural features and biological activity studies Acta Crystallographica Section C 78(3) (2022)
Space group: P 1 21/n 1
Cell volume: 1169.78
Cell parameters: 11.039; 6.7554; 15.6951; 90; 91.905; 90;

COD ID: 2022580

Formula: - C12 H34 Co2 N6 O17 -
Comments: Gallagher, Megan K.; Baker, Jonathan; Black, Robert; Oliver, Allen G.; Lappin, A. Graham An X-ray investigation of stereoselectivity in the interactions of [Co(en)3]3+ with [Co(ox)3]3− (en is ethane-1,2-diamine and ox is oxalate) Acta Crystallographica Section C Structural Chemistry 78(4) (2022)
Space group: P -1
Cell volume: 1286.6
Cell parameters: 8.606; 12.153; 13.562; 77.48; 74.393; 72.198;

COD ID: 2022581

Formula: - C78 H64 N6 O14 Zn3 -
Comments: Mbani O., Armel L.; Bonnand, Evan F.; Paboudam, Awawou G.; Brannon, Jacob P.; Gardner-Ricossa, Kevyn D.; Stieber, S. Chantal E.; Agwara, Moise O. Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc complex with N-phenylanthranilic acid ligands Acta Crystallographica Section C 78(4) (2022)
Space group: P -1
Cell volume: 1643.97
Cell parameters: 11.0968; 12.8319; 13.3134; 111.703; 108.028; 93.125;

COD ID: 2022582

Formula: - C25 H30 N6 O4 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2535.86
Cell parameters: 9.94703; 17.8262; 14.31; 90; 92.0063; 90;

COD ID: 2022583

Formula: - C26 H32 N6 O4 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2551.93
Cell parameters: 9.7816; 18.3758; 14.1998; 90; 91.029; 90;

COD ID: 2022584

Formula: - C27 H34 N6 O4 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2603.5
Cell parameters: 9.76826; 18.481; 14.42279; 90; 90.7205; 90;

COD ID: 2022585

Formula: - C28 H36 N6 O4 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2709.8
Cell parameters: 9.77352; 19.3316; 14.3425; 90; 90.3045; 90;

COD ID: 2022586

Formula: - C28 H36 N6 O5 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2815.15
Cell parameters: 10.25267; 19.21448; 14.29015; 90; 90.1353; 90;

COD ID: 2022587

Formula: - C25 H27 Cl3 N6 O3 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2655.77
Cell parameters: 10.0422; 18.3553; 14.4134; 90; 91.5895; 90;

COD ID: 2022588

Formula: - C26 H29 N7 O3 -
Comments: Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe Structural studies of various olmesartan solvates Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 2542.52
Cell parameters: 9.92522; 17.86566; 14.34306; 90; 91.437; 90;

COD ID: 2022589

Formula: - C58 H76 N6 S3 -
Comments: Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang Synthesis and properties of a novel decacyclic S,N-heteroacene Acta Crystallographica Section C 78(4) (2022)
Space group: P 1 21/c 1
Cell volume: 5194.73
Cell parameters: 26.461; 21.2115; 9.2552; 90; 90.044; 90;

COD ID: 2022590

Formula: - C12 H16 O4 -
Comments: Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui Synthesis, crystal structure and bioactivities of α-asaronol Acta Crystallographica Section C Structural Chemistry 78(5) (2022)
Space group: P 21 21 21
Cell volume: 1197.4
Cell parameters: 4.9935; 7.1864; 33.3673; 90; 90; 90;

COD ID: 2022591

Formula: - Ca10.974 O27.64 P6.012 -
Comments: Arnold, Emily L.; Keeble, Dean S.; Evans, J. P. O.; Greenwood, Charlene; Rogers, Keith D. Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite Acta Crystallographica Section C 78(5) (2022)
Space group: P 1
Cell volume: 534.14
Cell parameters: 9.449; 9.449; 6.908; 90; 90; 120;

COD ID: 2022592

Formula: - C16 H15 N3 O3 -
Comments: González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam Acta Crystallographica Section C 78(5) (2022)
Space group: P -1
Cell volume: 1397.18
Cell parameters: 10.0118; 11.8026; 13.6496; 65.234; 73.354; 78.437;

COD ID: 2022593

Formula: - C16 H18 N2 O4 -
Comments: González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam Acta Crystallographica Section C 78(5) (2022)
Space group: P c a 21
Cell volume: 1454.46
Cell parameters: 13.6888; 11.037; 9.6269; 90; 90; 90;

COD ID: 2022594

Formula: - Cu Na2 Ni O8 P2 -
Comments: Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V. Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures Acta Crystallographica Section C 78(5) (2022)
Space group: P 1 21/n 1
Cell volume: 302.311
Cell parameters: 5.13; 8.6729; 6.8473; 90; 97.104; 90;

COD ID: 2022595

Formula: - Cu Mn2 O8 P2 -
Comments: Kiriukhina, Galina V.; Yakubovich, Olga V.; Verchenko, Polina A.; Volkov, Anatoly S.; Dimitrova, Olga V. Novel first-row transition-metal phosphates: hydrothermal synthesis and crystal structures Acta Crystallographica Section C 78(5) (2022)
Space group: P -1
Cell volume: 153.35
Cell parameters: 4.8292; 5.4051; 6.5968; 72.716; 86.579; 69.064;

COD ID: 2022596

Formula: - C24 H588 Ce6 Mo124 N4 Na4 O664 -
Comments: Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O Acta Crystallographica Section C 78(5) (2022)
Space group: C 1 2/c 1
Cell volume: 62048
Cell parameters: 54.272; 38.896; 31.734; 90; 112.145; 90;

COD ID: 2022597

Formula: - C4 H10 Ce Cl O9 -
Comments: Belhouas, Ratiba; Trifa, Chahrazed; Bouacida, Sofiane; Benmerad, Belkacem; Souici, Abdel Hafid; Boudaren, Chaouki; Merazig, Hocine A new chiral rare-earth organic framework constructed by tartaric acid: synthesis, structural, thermal investigations and optical properties Acta Crystallographica Section C 78(5) (2022) 314-321
Space group: P 1 21 1
Cell volume: 535.07
Cell parameters: 5.9097; 7.7974; 11.7206; 90; 97.816; 90;

COD ID: 2022600

Formula: - C3 H5 Cl O3 -
Comments: Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z' Acta Crystallographica Section C 78(4) (2022) 257-264
Space group: P 1 21/c 1
Cell volume: 1002.05
Cell parameters: 10.8897; 10.6951; 9.0496; 90; 108.059; 90;

COD ID: 2022601

Formula: - C3 H5 Br O3 -
Comments: Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z' Acta Crystallographica Section C 78(4) (2022) 257-264
Space group: P 1 21/c 1
Cell volume: 1070.85
Cell parameters: 11.3076; 10.8912; 9.0769; 90; 106.673; 90;

COD ID: 2022602

Formula: - C3 H5 I O3 -
Comments: Gordon, Matthew N.; Liu, Yanyao; Shafei, Ibrahim H.; Brown, M. Kevin; Skrabalak, Sara E. Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z' Acta Crystallographica Section C 78(4) (2022) 257-264
Space group: P 1 21/c 1
Cell volume: 572.97
Cell parameters: 11.4762; 5.437; 9.1941; 90; 92.848; 90;

COD ID: 2022603

Formula: - C11 H17 Cl N2 O2 -
Comments: van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C 78(6) (2022)
Space group: P b c a
Cell volume: 2437.7
Cell parameters: 8.77; 11.658; 23.843; 90; 90; 90;

COD ID: 2022604

Formula: - C11 H17 Br N2 O2 -
Comments: van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C 78(6) (2022)
Space group: P b c a
Cell volume: 2538.7
Cell parameters: 8.859; 12.038; 23.805; 90; 90; 90;

COD ID: 2022605

Formula: - C14 H19 Br F2 I N2 O3 -
Comments: van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene Acta Crystallographica Section C 78(6) (2022)
Space group: P 1 21/c 1
Cell volume: 1828.62
Cell parameters: 12.9151; 11.3061; 12.5239; 90; 90.6281; 90;

COD ID: 2022606

Formula: - C18 H28 N4 O2 -
Comments: Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G. Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination Acta Crystallographica Section C 78(6) (2022)
Space group: P b c a
Cell volume: 1731.11
Cell parameters: 6.9163; 12.5609; 19.9264; 90; 90; 90;

COD ID: 2022607

Formula: - C18 H14 Cl4 N2 O -
Comments: Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C 78(6) (2022)
Space group: P 1 21/c 1
Cell volume: 1851.81
Cell parameters: 7.1902; 18.5341; 14.2507; 90; 102.814; 90;

COD ID: 2022608

Formula: - C20 H20 Cl4 N2 O2 -
Comments: Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C 78(6) (2022)
Space group: P -1
Cell volume: 1073.06
Cell parameters: 8.0766; 11.5926; 13.0383; 115.423; 99.068; 94.776;

COD ID: 2022609

Formula: - C18 H15 Cl4 N2 O1.5 -
Comments: Kaspiaruk, Hanna; Checińska, Lilianna A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate Acta Crystallographica Section C 78(6) (2022)
Space group: P 1 21/c 1
Cell volume: 3923.4
Cell parameters: 8.063; 33.261; 16.5481; 90; 117.864; 90;

COD ID: 2022610

Formula: - C28 H20 O5 P Re -
Comments: Schutte-Smith, Marietjie; Visser, Hendrik Gideon Crystal and molecular structures of fac-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)] Acta Crystallographica Section C 78(6) (2022)
Space group: P -1
Cell volume: 1211.6
Cell parameters: 9.9301; 10.1686; 12.7882; 80.948; 71.899; 88.682;

COD ID: 2022611

Formula: - C28 H17 Br3 O5 P Re -
Comments: Schutte-Smith, Marietjie; Visser, Hendrik Gideon Crystal and molecular structures of fac-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)] Acta Crystallographica Section C 78(6) (2022)
Space group: P -1
Cell volume: 1383.3
Cell parameters: 8.5413; 8.7024; 20.376; 102.221; 93.891; 109.093;

COD ID: 2022612

Formula: - C18 H15 Ag Cl3 F3 N2 O7 S -
Comments: Jo, Seong Min; Noh, Tae Hwan Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane Acta Crystallographica Section C 78(6) (2022)
Space group: P 1 21/n 1
Cell volume: 2554.2
Cell parameters: 14.987; 10.835; 15.997; 90; 100.49; 90;

COD ID: 2022613

Formula: - C17 H14 Ag F3 N2 O7 S -
Comments: Jo, Seong Min; Noh, Tae Hwan Solvent media as the driving force in the formation of one-dimensional silver(I) coordination polymers with 2-methylidene-1,3-bis(nicotinoyloxy)propane Acta Crystallographica Section C 78(6) (2022)
Space group: P 1 21/c 1
Cell volume: 1935.07
Cell parameters: 8.4347; 15.5581; 14.9879; 90; 100.31; 90;

COD ID: 2022614

Formula: - C20 H28 Cl O2.5 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 31 2 1
Cell volume: 2767.58
Cell parameters: 10.5989; 10.5989; 28.4478; 90; 90; 120;

COD ID: 2022615

Formula: - C20 H27 Cl O2 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 1 21 1
Cell volume: 1822.31
Cell parameters: 10.8409; 10.225; 16.4751; 90; 93.759; 90;

COD ID: 2022616

Formula: - C42 H60 Cl2 O7 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 43 21 2
Cell volume: 7873.19
Cell parameters: 10.70311; 10.70311; 68.7275; 90; 90; 90;

COD ID: 2022617

Formula: - C42 H57 Cl2 F3 O5 -
Comments: Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe Solid forms and β-cyclodextrin complexation of turinabol Acta Crystallographica Section C 78(5) (2022) 305-313
Space group: P 21 21 21
Cell volume: 3955.41
Cell parameters: 10.3088; 12.9337; 29.6661; 90; 90; 90;

COD ID: 2022618

Formula: - C56 H70 Ho4 N4 O33 -
Comments: Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/n 1
Cell volume: 1825.45
Cell parameters: 9.0957; 17.4571; 11.5422; 90; 95.107; 90;

COD ID: 2022619

Formula: - C64 H82 Eu4 N6 O32 -
Comments: Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/n 1
Cell volume: 1846.88
Cell parameters: 9.3197; 17.6285; 11.2707; 90; 94.131; 90;

COD ID: 2022620

Formula: - C17 H20 N4 O5 -
Comments: Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-c]pyridazin-7-one: a bicyclic nucleoside with sugar residues in N and S conformations, and its molecular recognition Acta Crystallographica Section C 78(7) (2022)
Space group: P 21 21 21
Cell volume: 3291.9
Cell parameters: 7.2057; 11.0792; 41.2346; 90; 90; 90;

COD ID: 2022621

Formula: - C10 H9 N O S2 -
Comments: Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of N-(thiophen-2-ylmethyl)thiophene-2-carboxamide Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 c 1
Cell volume: 536.15
Cell parameters: 4.9916; 10.8497; 10.0075; 90; 98.411; 90;

COD ID: 2022622

Formula: - C29 H39 N5 O22 -
Comments: Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids Acta Crystallographica Section C 78(7) (2022)
Space group: C 1 c 1
Cell volume: 3587.3
Cell parameters: 9.4539; 29.9892; 13.1934; 90; 106.454; 90;

COD ID: 2022623

Formula: - C8 H7 N7 O7 -
Comments: Nirmal Ram, Jeyaraman Selvaraj; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Cordes, David Bradford Structure determination and Hirshfeld surface analysis of new cocrystal and salt forms of 5-aminotetrazole with hydroxy- and nitro-substituted carboxylic acids Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/c 1
Cell volume: 1186.5
Cell parameters: 6.2591; 11.1312; 17.2257; 90; 98.646; 90;

COD ID: 2022624

Formula: - C14 H14 Cl N3 O4 -
Comments: Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties Acta Crystallographica Section C 78(7) (2022)
Space group: P c a 21
Cell volume: 1414.28
Cell parameters: 23.7648; 8.5785; 6.9373; 90; 90; 90;

COD ID: 2022625

Formula: - C28 H20 B2 Cu3 F8 N6 O6 -
Comments: Kochel, Andrzej; Hołyńska, Małgorzata; Twaróg, Kamil; Jezierska, Aneta; Panek, Jarosław J.; Wojaczyński, Jacek A new mixed-valence Cu^I^/Cu^II^ three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties Acta Crystallographica Section C 78(7) (2022)
Space group: P b c n
Cell volume: 3157.71
Cell parameters: 21.9637; 12.4106; 11.5844; 90; 90; 90;

COD ID: 2022626

Formula: - C13 H9 I N2 O2 -
Comments: Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional sp-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and N-halosuccinimides Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/n 1
Cell volume: 1300.84
Cell parameters: 9.4503; 12.7805; 10.9605; 90; 100.687; 90;

COD ID: 2022627

Formula: - C13 H9 I N2 O2 -
Comments: Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional sp-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and N-halosuccinimides Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/n 1
Cell volume: 1303.35
Cell parameters: 10.4088; 5.32; 23.5462; 90; 91.606; 90;

COD ID: 2022628

Formula: - C13 H9 Br N2 O2 -
Comments: Bosch, Eric; Bowling, Nathan P. Co-operative halogen bonds and nonconventional sp-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and N-halosuccinimides Acta Crystallographica Section C 78(7) (2022)
Space group: P 1 21/n 1
Cell volume: 1263.9
Cell parameters: 10.2264; 5.3123; 23.281; 90; 92.048; 90;

COD ID: 2022645

Formula: - C12 H12 Fe N8 -
Comments: Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)] Acta Crystallographica Section C 78(8) (2022)
Space group: P -1
Cell volume: 684.36
Cell parameters: 7.7235; 9.4051; 10.5846; 112.585; 102.828; 92.852;

COD ID: 2022646

Formula: - C12 H12 Fe N8 -
Comments: Setifi, Zouaoui; Bernès, Sylvain; Geiger, David K.; Setifi, Fatima; Reedijk, Jan Concomitant dimorphism in poly[di-μ-azido-(5,5'-dimethyl-2,2'-bipyridine)iron(II)] Acta Crystallographica Section C 78(8) (2022)
Space group: P 1 21/c 1
Cell volume: 1369.79
Cell parameters: 7.4901; 18.3242; 10.6219; 90; 110.017; 90;

COD ID: 2022647

Formula: - C4 H8 Br N3 O -
Comments: Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C 78(8) (2022)
Space group: P 1 21/n 1
Cell volume: 721.79
Cell parameters: 8.7252; 7.7772; 10.7406; 90; 97.969; 90;

COD ID: 2022648

Formula: - C11 H14 N4 O3 -
Comments: Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C 78(8) (2022)
Space group: P 1 21 1
Cell volume: 592.52
Cell parameters: 7.9887; 6.6098; 11.4753; 90; 102.08; 90;

COD ID: 2022649

Formula: - C11 H11 N5 O7 -
Comments: Jeyaraman Selvaraj, Nirmalram; Sathya, Udhayasuriyan; Gomathi, Sundaramoorthy; Jegan Jennifer, Samson; Mathivathanan, Logesh; Abdul Razak, Ibrahim Synthesis, crystal structure determination and Hirshfeld surface analysis of three new salt forms of creatinine with hydrobromic acid, 3-aminobenzoic acid and 3,5-dinitrobenzoic acid Acta Crystallographica Section C 78(8) (2022)
Space group: P 1 21/c 1
Cell volume: 1377.8
Cell parameters: 5.4175; 22.634; 11.3668; 90; 98.696; 90;

COD ID: 2022650

Formula: - C21 H15 Br N4 O2 S -
Comments: Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives Acta Crystallographica Section C Structural Chemistry 78(9) (2022)
Space group: P -1
Cell volume: 976.7
Cell parameters: 5.781; 12.717; 14.655; 67.751; 78.78; 82.94;

COD ID: 2022651

Formula: - C24 H20 N4 O4 S -
Comments: Branowska, Danuta; Wysocki, Waldemar; Wolińska, Ewa; Koc, Karolina; Stańska, Katarzyna; Mirosław, Barbara; Karczmarzyk, Zbigniew Synthesis, structure and sulfonamide–sulfonimide tautomerism of sulfonamide–1,2,4-triazine derivatives Acta Crystallographica Section C Structural Chemistry 78(9) (2022)
Space group: P 1 21/n 1
Cell volume: 2181.8
Cell parameters: 10.919; 8.0871; 24.875; 90; 96.65; 90;

COD ID: 2022652

Formula: - Cd Ge2 Li4 S7 -
Comments: Craig, Andrew J.; Shin, Seung Han; Cho, Jeong Bin; Balijapelly, Srikanth; Kelly, Jordan C.; Stoyko, Stanislav S.; Choudhury, Amitava; Jang, Joon I.; Aitken, Jennifer A. Crystal structure, electronic structure, and optical properties of the novel Li~4~CdGe~2~S~7~, a wide-bandgap quaternary sulfide with a polar structure derived from lonsdaleite Acta Crystallographica Section C 78(9) (2022)
Space group: C 1 c 1
Cell volume: 1157.32
Cell parameters: 16.8354; 6.787; 10.1499; 90; 93.71; 90;

COD ID: 2022653

Formula: - C16 H17 N O4 -
Comments: Çakmak, Şükriye; Aycan, Tuğba; Öztürk, Filiz; Veyisoğlu, Aysel Design, synthesis and spectroscopic and structural characterization of novel N-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology Acta Crystallographica Section C 78(9) (2022)
Space group: P 1 21/c 1
Cell volume: 1431.73
Cell parameters: 6.7134; 15.9685; 13.3879; 90; 93.999; 90;

COD ID: 2022654

Formula: - C19 H15 Cd N2 O4 -
Comments: Shen, Hong A new two-dimensional cadmium(II) coordination polymer based on the asymmetric dicarboxylic acid homophthalic acid: synthesis, structure and properties Acta Crystallographica Section C 78(9) (2022)
Space group: P 1 21/n 1
Cell volume: 1740.11
Cell parameters: 12.5769; 7.5529; 18.5933; 90; 99.863; 90;

COD ID: 2022655

Formula: - C14 H32 Cl6 Fe2 N4 -
Comments: DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C 78(9) (2022) 507-514
Space group: C 1 2/c 1
Cell volume: 2341.3
Cell parameters: 20.3512; 6.4815; 18.049; 90; 100.452; 90;

COD ID: 2022656

Formula: - C15 H36 Cl3 Fe N4 O -
Comments: DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C 78(9) (2022) 507-514
Space group: P 1 21/c 1
Cell volume: 2057.8
Cell parameters: 8.1632; 20.847; 12.1387; 90; 95.024; 90;

COD ID: 2022657

Formula: - C14 H32 Cl3 Fe N4 -
Comments: DeLancey, Stephanie S.; Clendening, Reese A.; Zeller, Matthias; Ren, Tong Geometric isomers of dichloridoiron(III) complexes of CTMC (5,7,12,14-tetramethyl-1,4,8,11-tetraazacyclotetradecane) Acta Crystallographica Section C 78(9) (2022) 507-514
Space group: P b c n
Cell volume: 1918.4
Cell parameters: 9.2912; 11.9579; 17.267; 90; 90; 90;

COD ID: 2022661

Formula: - C15 H23 N3 O3 S -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P 1 21/n 1
Cell volume: 1564.2
Cell parameters: 6.1202; 25.213; 10.5669; 90; 106.403; 90;

COD ID: 2022662

Formula: - C14 H21 N3 O4 S -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P -1
Cell volume: 1599
Cell parameters: 8.504; 12.229; 15.834; 102.194; 91.589; 95.875;

COD ID: 2022663

Formula: - C14 H23 N3 O5 S -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P 1 21/c 1
Cell volume: 1681.35
Cell parameters: 8.2022; 6.3857; 34.166; 90; 110.022; 90;

COD ID: 2022664

Formula: - C14 H21 N3 O3 S2 -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P -1
Cell volume: 840.68
Cell parameters: 6.2286; 8.5209; 16.2157; 84.881; 79.671; 84.66;

COD ID: 2022665

Formula: - C20 H26 N4 O3 S -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P -1
Cell volume: 1997.85
Cell parameters: 8.4423; 12.0126; 20.3063; 100.315; 96.533; 95.678;

COD ID: 2022666

Formula: - C17 H18 N4 O3 S -
Comments: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of O-tosylation of β-(benzimidazol-1-yl)propioamidoxime Acta Crystallographica Section C 78(10) (2022)
Space group: P 1 21/c 1
Cell volume: 1786.1
Cell parameters: 11.0524; 19.127; 8.8414; 90; 107.131; 90;

COD ID: 2022667

Formula: - C18 H14 F N -
Comments: Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C 78(10) (2022)
Space group: P 1 21/c 1
Cell volume: 1282.25
Cell parameters: 13.5921; 12.7103; 7.6215; 90; 103.133; 90;

COD ID: 2022668

Formula: - C19 H14 F3 N -
Comments: Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C 78(10) (2022)
Space group: C 1 2/c 1
Cell volume: 3013.8
Cell parameters: 17.2696; 10.8096; 16.1495; 90; 91.44; 90;

COD ID: 2022669

Formula: - C18 H13 Cl2 N -
Comments: Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone Acta Crystallographica Section C 78(10) (2022)
Space group: C 1 2/c 1
Cell volume: 2824.1
Cell parameters: 30.5651; 3.8629; 25.5357; 90; 110.497; 90;

COD ID: 2022670

Formula: - C10 H18 O5 S -
Comments: Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li Chemical characterization, absolute configuration and optical purity of (1S)-(+)- and (1R)-(–)-10-camphorsulfonic acid Acta Crystallographica Section C 78(10) (2022)
Space group: P 21 21 21
Cell volume: 1173.77
Cell parameters: 6.72815; 11.24661; 15.51195; 90; 90; 90;

COD ID: 2022671

Formula: - C10 H18 O5 S -
Comments: Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li Chemical characterization, absolute configuration and optical purity of (1S)-(+)- and (1R)-(–)-10-camphorsulfonic acid Acta Crystallographica Section C 78(10) (2022)
Space group: P 21 21 21
Cell volume: 1172.65
Cell parameters: 6.72595; 11.23408; 15.51954; 90; 90; 90;

COD ID: 2022672

Formula: - C17 H18 N4 O3 -
Comments: Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-d]pyridazin-4(3H)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C 78(10) (2022) 559-569
Space group: P -1
Cell volume: 774.14
Cell parameters: 6.8722; 11.0502; 11.209; 65.618; 89.798; 87.085;

COD ID: 2022673

Formula: - C18 H17 N3 O4 -
Comments: Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-d]pyridazin-4(3H)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C 78(10) (2022) 559-569
Space group: P 1 21/c 1
Cell volume: 1599.37
Cell parameters: 17.4344; 13.08; 7.0192; 90; 92.315; 90;

COD ID: 2022674

Formula: - C22 H23 N3 O6 -
Comments: Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-d]pyridazin-4(3H)-one and its mono- and disubstituted ethyl acetates Acta Crystallographica Section C 78(10) (2022) 559-569
Space group: P -1
Cell volume: 1030.7
Cell parameters: 8.679; 8.751; 15.137; 92.24; 106.06; 109.46;

COD ID: 2022675

Formula: - C6 H3 I2 N O2 -
Comments: Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C 78(10) (2022) 552-558
Space group: P 1 21/m 1
Cell volume: 424.48
Cell parameters: 4.181; 15.0336; 6.797; 90; 96.506; 90;

COD ID: 2022676

Formula: - C6 H3 Br2 N O2 -
Comments: Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C 78(10) (2022) 552-558
Space group: P 1 21/m 1
Cell volume: 379.96
Cell parameters: 3.9721; 14.164; 6.7971; 90; 96.486; 90;

COD ID: 2022677

Formula: - C6 H3 Cl2 N O2 -
Comments: Bosch, Eric; Bowling, Nathan P.; Speetzen, Erin D. A structural and computational comparison of close contacts and related intermolecular energies of interaction in the structures of 1,3-diiodo-5-nitrobenzene, 1,3-dibromo-5-nitrobenzene, and 1,3-dichloro-5-nitrobenzene Acta Crystallographica Section C 78(10) (2022) 552-558
Space group: P 1 21/m 1
Cell volume: 357.56
Cell parameters: 3.8115; 13.6452; 6.8976; 90; 94.632; 90;

COD ID: 2022679

Formula: - Ir2 S3 -
Comments: Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry 78(11) (2022)
Space group: P b c n
Cell volume: 313.649
Cell parameters: 8.4728; 6.01563; 6.1537; 90; 90; 90;

COD ID: 2022680

Formula: - Rh2 S3 -
Comments: Yoshiasa, Akira; Kitahara, Ginga; Tokuda, Makoto; Ishimaru, Satoko; Ono, Shin-ichiro; Terai, Kunihisa; Nakatsuka, Akihiko; Sugiyama, Kazumasa Single-crystal structure refinements and Debye temperatures of Ir2S3 kashinite and Rh2S3 bowieite Acta Crystallographica Section C Structural Chemistry 78(11) (2022)
Space group: P b c n
Cell volume: 311.131
Cell parameters: 8.4672; 5.98537; 6.13921; 90; 90; 90;

COD ID: 2022681

Formula: - C16 H12 O7 -
Comments: An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions Acta Crystallographica Section C 78(11) (2022)
Space group: P 1 21/c 1
Cell volume: 1388.6
Cell parameters: 7.4465; 8.0745; 23.16; 90; 94.31; 90;

COD ID: 2022682

Formula: - C28 H20 Cd N4 O7 -
Comments: An, Yan-Yan; Su, Li-Jun; Zhao, Xin; Yan, Juan-Zhi Cd^II^-based compound as a multi-responsive fluorescent probe for sensing Fe^III^ cations and Cr^VI^ oxyanions Acta Crystallographica Section C 78(11) (2022)
Space group: P 1 21/n 1
Cell volume: 2518.3
Cell parameters: 10.1105; 12.0603; 21.2013; 90; 103.067; 90;

COD ID: 2022683

Formula: - C18 H26 O6 -
Comments: Mohammed, Adnan I.; Bhadbhade, Mohan M.; Read, Roger W. 3,4-Bis-O-propargyl-1,2:5,6-di-O-isopropylidene-D-mannitol: a study of multiple weak hydrogen bonds in the solid state Acta Crystallographica Section C 78(11) (2022)
Space group: P 1
Cell volume: 1432.94
Cell parameters: 9.4726; 10.3; 15.3583; 73.378; 88.382; 86.4;

COD ID: 2022684

Formula: - C10 H4.04 Br5.96 Fe -
Comments: Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry 78(11) (2022)
Space group: P -1
Cell volume: 708.21
Cell parameters: 7.0903; 7.4318; 13.8071; 88.745; 84.993; 77.728;

COD ID: 2022685

Formula: - C10 H2 Br8 Fe -
Comments: Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry 78(11) (2022)
Space group: P -1
Cell volume: 392.06
Cell parameters: 6.9395; 7.0548; 8.9271; 67.577; 76.16; 86.461;

COD ID: 2022686

Formula: - C10 Br10 Fe Hg -
Comments: Blockhaus, Tobias; Sünkel, Karlheinz Isolation and crystal and molecular structures of [(C5H2Br3)2Fe], [(C5HBr4)2Fe] and [(C5Br5)(C5Br4HgBr)Fe] Acta Crystallographica Section C Structural Chemistry 78(11) (2022)
Space group: P 1 21/n 1
Cell volume: 2005.79
Cell parameters: 8.9784; 14.0971; 15.8485; 90; 90.689; 90;

COD ID: 2022687

Formula: - C22 H31 N -
Comments: Gupta, Sakuntala; Das, Partha Pratim; Crispini, Alessandra; Scarpelli, Francesca; Borbone, Fabio; Centore, Roberto Crystal and mesophase structure of a bicyclohexyl cyano mesogen Acta Crystallographica Section C 78(11) (2022)
Space group: P -1
Cell volume: 907.6
Cell parameters: 9.623; 10.13; 10.151; 104.686; 103.935; 98.024;

COD ID: 2022688

Formula: - C48 H42 Cl6 Cu F6 N2 O P3 -
Comments: Kong, Yu-Jie; Wang, Jian-Teng; Song, Li A new heteroleptic cuprous polymer constructed by a cyanopyridine ligand exhibiting a supramolecular framework structure and luminescence Acta Crystallographica Section C 78(11) (2022)
Space group: P 1 21/c 1
Cell volume: 5033.6
Cell parameters: 15.0438; 13.42; 25.3937; 90; 100.933; 90;

COD ID: 2022689

Formula: - C8 H11 B F4 O -
Comments: Mandal, Koushik; Sarkar, Sounak; Ghosh, Peuli; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative insights into noncovalent interactions involving halogen and tetrel bonds in 2,4,6-trimethylpyrylium tetrafluoroborate Acta Crystallographica Section C 78(11) (2022)
Space group: P n m a
Cell volume: 935.72
Cell parameters: 9.7906; 9.6859; 9.8673; 90; 90; 90;

COD ID: 2022690

Formula: - C24 H21 B Br P -
Comments: Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R. Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane Acta Crystallographica Section C 78(11) (2022)
Space group: P -1
Cell volume: 1020.21
Cell parameters: 9.492; 10.0234; 12.0606; 81.515; 74.038; 67.798;

COD ID: 2022693

Formula: - C19 H24 F N3 O5 -
Comments: Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna Zwitterionic versus neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate Acta Crystallographica Section C 78(12) (2022)
Space group: P 21 21 21
Cell volume: 1796.47
Cell parameters: 7.1687; 10.6689; 23.4887; 90; 90; 90;

COD ID: 2022694

Formula: - C19 H24 F N3 O5 -
Comments: Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna Zwitterionic versus neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate Acta Crystallographica Section C 78(12) (2022)
Space group: P 21 21 21
Cell volume: 1803.89
Cell parameters: 7.1815; 10.684; 23.5104; 90; 90; 90;

COD ID: 2022695
CIF file Original IUCr paper	Formula: - C8 H4 I2 N2 S - Comments: De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C 78(12) (2022) Space group: P b c a Cell volume: 2108.95 Cell parameters: 11.0392; 8.1756; 23.3673; 90; 90; 90;

COD ID: 2022696

Formula: - C8 H4 Br2 N2 Se -
Comments: De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C 78(12) (2022)
Space group: P b c a
Cell volume: 2024.75
Cell parameters: 11.1945; 7.1006; 25.4725; 90; 90; 90;

COD ID: 2022697

Formula: - C8 H4 Br I N2 Se -
Comments: De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C 78(12) (2022)
Space group: P b c a
Cell volume: 2084
Cell parameters: 11.1735; 7.1222; 26.1875; 90; 90; 90;

COD ID: 2022698

Formula: - C8 H4 Br I N2 S -
Comments: De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B. Competition between chalcogen and halogen bonding assessed through isostructural species Acta Crystallographica Section C 78(12) (2022)
Space group: P b c a
Cell volume: 2030.29
Cell parameters: 10.9919; 6.9945; 26.4076; 90; 90; 90;

COD ID: 2022708

Formula: - Ga18 Mg Mn4 -
Comments: Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Chumak, Ihor; Indris, Sylvio; Schwarz, Bjoern; Ehrenberg, Helmut MgMn~4~Ga~18~: a novel three-shell gallium cluster structure Acta Crystallographica, Section C 78(8) (2022) 455-461
Space group: P 4/m m m
Cell volume: 396.13
Cell parameters: 6.3116; 6.3116; 9.944; 90; 90; 90;

COD ID: 2312083

Formula: - C18 H42 O21 -
Comments: Kawasaki, 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 78(Pt 12) (2022) 743-748
Space group: P 21 21 21
Cell volume: 2592.2
Cell parameters: 8.8921; 12.2495; 23.798; 90; 90; 90;

COD ID: 2312084

Formula: - C18 H40 O20 -
Comments: Kawasaki, 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 78(Pt 12) (2022) 743-748
Space group: P 21 21 21
Cell volume: 2621.4
Cell parameters: 8.987; 12.3973; 23.528; 90; 90; 90;

COD ID: 2312085

Formula: - C10 H12 N2 O4 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P 1 21/n 1
Cell volume: 1140.01
Cell parameters: 8.6173; 14.6662; 9.4885; 90; 108.075; 90;

COD ID: 2312086

Formula: - C11 H14 N2 O4 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P 1 21/n 1
Cell volume: 1230.8
Cell parameters: 8.6881; 15.0266; 9.8337; 90; 106.526; 90;

COD ID: 2312087

Formula: - C14 H12 N2 O4 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P 1 21/n 1
Cell volume: 1385.02
Cell parameters: 7.4701; 23.6743; 7.8614; 90; 94.989; 90;

COD ID: 2312088

Formula: - C10 H14 N2 O2 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P 1 21/c 1
Cell volume: 2189.8
Cell parameters: 16.399; 7.9485; 18.376; 90; 113.907; 90;

COD ID: 2312089

Formula: - C11 H16 N2 O2 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P b c a
Cell volume: 2359.36
Cell parameters: 11.1747; 10.485; 20.1368; 90; 90; 90;

COD ID: 2312090

Formula: - C14 H14 N2 O2 S -
Comments: Kolade, 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 78(Pt 12) (2022) 730-742
Space group: P 1 21/n 1
Cell volume: 1304.4
Cell parameters: 9.799; 10.2612; 13.201; 90; 100.682; 90;

COD ID: 2312091

Formula: - C25 H20 Cu N4 O8 -
Comments: Bhat, 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 78(Pt 12) (2022) 755-759
Space group: P -1
Cell volume: 1143.78
Cell parameters: 10.4795; 11.1326; 12.1768; 101.393; 105.793; 115.958;

COD ID: 2312092

Formula: - Cl H2 K O -
Comments: Yamashita, 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 78(Pt 12) (2022) 749-754
Space group: P 1 21/n 1
Cell volume: 293.7
Cell parameters: 5.687; 6.3969; 8.447; 90; 107.08; 90;

COD ID: 2312153

Formula: - C28 H20 Cl N4 P Te -
Comments: Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. 77Se and 125Te 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 78(Pt 10) (2022) 517-523
Space group: P 1 21/n 1
Cell volume: 2557.02
Cell parameters: 18.2538; 7.3008; 20.0497; 90; 106.867; 90;

COD ID: 2312154

Formula: - C12 H20 Cl N4 P Te -
Comments: Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. 77Se and 125Te 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 78(Pt 10) (2022) 517-523
Space group: P -1
Cell volume: 863.8
Cell parameters: 6.95; 9.5921; 13.604; 102.427; 101.89; 91.876;

COD ID: 2312155