Crystallography Open Database

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2022485 CIF
HKL
Paper
C27 H18 Co N2 O8P 1 21/c 111.6652; 20.9692; 11.0438
90; 113.609; 90
2475.3Li, 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, 2022, 78
2022486 CIF
HKL
Paper
C27 H18 N2 Ni O8P 1 21/c 111.6277; 20.8495; 11.0075
90; 113.689; 90
2443.7Li, 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, 2022, 78
2022487 CIF
HKL
Paper
C13 H12 N4 SP 1 21/c 17.2214; 6.6059; 25.962
90; 94.233; 90
1235.11Lobana, 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, 2022, 78
2022488 CIF
HKL
Paper
C15 H16 N4 SP b c a15.8897; 10.9845; 16.8393
90; 90; 90
2939.14Lobana, 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, 2022, 78
2022489 CIF
HKL
Paper
C51 H45 Cl Cu N5 P2 SP 1 21/c 118.7299; 11.1592; 21.6646
90; 96.296; 90
4500.8Lobana, 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, 2022, 78
2022490 CIF
HKL
Paper
C18 H22 N8 Ni S2P 1 21/c 17.6398; 14.393; 9.7339
90; 107.823; 90
1018.97Lobana, 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, 2022, 78
2022492 CIF
HKL
Paper
C17 H26 Cl N OP 1 21/c 117.0494; 6.9334; 15.241
90; 108.635; 90
1707.19Rojkiewicz, 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, 2022, 78
2022493 CIF
HKL
Paper
C16 H24 Cl N OP 1 21/c 114.0379; 10.3133; 11.4344
90; 96.829; 90
1643.7Rojkiewicz, 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, 2022, 78
2022494 CIF
HKL
Paper
C13 H20 Cl N OP 1 21/n 17.1747; 7.8832; 24.9469
90; 93.765; 90
1407.94Rojkiewicz, 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, 2022, 78
2022495 CIF
HKL
Paper
C11 H10 N4 O7 SP 1 21/n 19.8459; 10.953; 12.6881
90; 91.524; 90
1367.83Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin
A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals
Acta Crystallographica Section C, 2022, 78, 7-13
2022496 CIF
HKL
Paper
C11 H10 Cl N3 O5 SP 1 21/n 17.392; 11.2356; 16.674
90; 101.33; 90
1357.8Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Wojtulewski, Sławomir; Palusiak, Marcin
A novel hydrogen-bonding <i>N</i>-oxide–sulfonamide–nitro N—H···O synthon determining the architecture of benzenesulfonamide cocrystals
Acta Crystallographica Section C, 2022, 78, 7-13
2022512 CIF
HKL
Paper
C10 H18 N2 O8P 1 21 15.1153; 7.1849; 18.4639
90; 96.817; 90
673.8Akram, 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, 2022, 78
2022513 CIF
HKL
Paper
C10 H18 N2 O8P 1 21 15.1153; 7.1849; 18.4639
90; 96.817; 90
673.8Akram, 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, 2022, 78
2022515 CIF
HKL
Paper
C27 H15 N3 O3P 1 21/c 114.1863; 7.4446; 18.338
90; 90.3606; 90
1936.66Yu, Hao; Gray, Danielle L.; Woods, Toby J.; Moore, Jeffrey S.
Trioxazolo[2^3^]metacyclophane: synthesis, structural analysis, and optical properties
Acta Crystallographica Section C, 2022, 78
2022516 CIF
Paper
C24 H34 O2 TeP b c n9.3633; 14.2339; 17.7479
90; 90; 90
2365.37Shibuya, 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, 2022, 78
2022517 CIF
HKL
Paper
C31.6 H17.4 Fe N15.8P -111.9972; 12.8711; 13.0907
62.528; 82.929; 77.21
1748.47Sünkel, Karlheinz; Blockhaus, Tobias
Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited. Crystal and molecular structure of <i>cis</i>-[{C~5~(CN)~5~}~2~(MeCN)~4~Fe]
Acta Crystallographica Section C, 2022, 78
2022518 CIF
HKL
Paper
C16 H16 O SP 21 21 215.4591; 9.6001; 25.0301
90; 90; 90
1311.78Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022519 CIF
HKL
Paper
C16 H16 O SP 21 21 215.1311; 9.1135; 28.4
90; 90; 90
1328.05Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022520 CIF
HKL
Paper
C17 H18 O2 SP 1 21/n 114.0829; 7.749; 14.6419
90; 116.329; 90
1432.09Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022521 CIF
HKL
Paper
C17 H18 O2 SP n a 2118.4026; 10.90882; 7.37881
90; 90; 90
1481.3Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022522 CIF
HKL
Paper
C17 H18 O2 SP 1 21/c 17.22965; 37.4539; 10.85314
90; 90.0541; 90
2938.8Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022523 CIF
HKL
Paper
C17 H18 O2 SP 21 21 215.4341; 13.322; 20.9587
90; 90; 90
1517.26Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022524 CIF
HKL
Paper
C18 H20 O3 SP 21 21 215.3187; 8.3866; 36.019
90; 90; 90
1606.66Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022525 CIF
HKL
Paper
C18 H20 O3 SP 1 21/n 110.927; 7.2754; 40.2818
90; 93.094; 90
3197.7Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022526 CIF
HKL
Paper
C18 H20 O3 SP 1 21/n 112.252; 7.0563; 19.1866
90; 100.261; 90
1632.22Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej
Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Acta Crystallographica Section C, 2022, 78
2022527 CIF
HKL
Paper
C25 H26 O13P 1 21 113.88124; 15.36081; 5.59335
90; 94.9763; 90
1188.16Kaduk, 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, 2022, 78
2022528 CIF
Paper
C25 H26 O13P 1 21 113.8811; 15.3608; 5.5934
90; 94.98; 90
1188.15Kaduk, 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, 2022, 78
2022529 CIF
HKL
Paper
C11 H10 Br N O3P -19.8671; 10.6765; 11.8719
85.77; 86.907; 63.586
1116.73Jiang, 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 (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex
Acta Crystallographica Section C, 2022, 78
2022530 CIF
HKL
Paper
C19 H23 Br N2 O8 Zn2P -18.03; 10.1184; 14.4723
87.217; 89.232; 83.518
1166.95Jiang, 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 (<i>Z</i>)-3-[(3-acetyl-2-hydroxyphenyl)amino]-2-bromoprop-2-enal and a novel Zn^II^ complex
Acta Crystallographica Section C, 2022, 78
2022531 CIF
HKL
Paper
C16 H13 Gd N3 O8F d d d :217.9185; 18.0874; 26.5146
90; 90; 90
8593.4Tiwari, 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, 2022, 78
2022534 CIF
HKL
Paper
C11 H19 Cl N4 Ni O2C m c e14.3402; 14.2577; 13.1777
90; 90; 90
2694.3Chang, 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, 2022, 78
2022535 CIF
HKL
Paper
C36 H48 K2 O4 VP 1 21/c 110.985; 17.243; 18.532
90; 101.014; 90
3445.6Kucera, 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, 2022, 78
2022536 CIF
HKL
Paper
C48 H76 K N2 O7 P2 VP 1 2 110.3028; 8.6409; 14.5778
90; 108.835; 90
1228.3Kucera, 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, 2022, 78
2022537 CIF
HKL
Paper
C104 H136 K2 O18 V2P -19.1729; 9.3501; 27.928
89.695; 88.67; 83.918
2381.2Kucera, 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, 2022, 78
2022538 CIF
HKL
Paper
C55 H77 K O9 P VP -19.6431; 14.4883; 20.804
74.992; 84.667; 71.815
2667Kucera, 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, 2022, 78
2022539 CIF
HKL
Paper
C50 H76 K O8 P2 VP -112.4421; 13.9771; 15.1934
97.35; 93.436; 101.178
2561Kucera, 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, 2022, 78
2022540 CIF
HKL
Paper
C40 H44 Na O3 V2P -110.9951; 12.0777; 13.502
78.594; 68.517; 78.738
1620.6Kucera, 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, 2022, 78
2022541 CIF
Paper
C54 H42 Cu3 N12 O12I a -322.27; 22.27; 22.27
90; 90; 90
11045Chen, 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, 2022, 78
2022542 CIF
HKL
Paper
C14 H14 N4 O5P 21 21 215.3043; 11.1405; 22.6067
90; 90; 90
1335.89Budow-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, 2022, 78
2022543 CIF
HKL
Paper
C26 H32 N2 O8P -18.697; 9.203; 15.916
75.369; 82.049; 89.151
1220.5Smith, Gary L. N.; Taylor, Richard W.
Synthesis and structures of three benzoannelated macrobicyclic diamides
Acta Crystallographica Section C, 2022, 78
2022544 CIF
HKL
Paper
C24 H28 N2 O7P b c a16.208; 14.849; 18.052
90; 90; 90
4345Smith, Gary L. N.; Taylor, Richard W.
Synthesis and structures of three benzoannelated macrobicyclic diamides
Acta Crystallographica Section C, 2022, 78
2022545 CIF
HKL
Paper
C24 H28 N2 O7P 1 21 17.6238; 23.318; 12.655
90; 100.677; 90
2210.8Smith, Gary L. N.; Taylor, Richard W.
Synthesis and structures of three benzoannelated macrobicyclic diamides
Acta Crystallographica Section C, 2022, 78
2022546 CIF
HKL
Paper
C20 H32 Ag B F4 N8 S2P -110.1813; 10.2237; 15.0154
73.446; 82.398; 61.781
1320.11Blake, 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, 2022, 78
2022547 CIF
HKL
Paper
C13 H20 Ag N5 S2P -18.4426; 8.5739; 11.8497
96.585; 99.023; 95.313
836.19Blake, 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, 2022, 78
2022548 CIF
HKL
Paper
C19 H32 Ag2 B F4 N5 S5C 1 2/c 128.537; 8.4362; 27.216
90; 119.94; 90
5677.7Blake, 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, 2022, 78
2022566 CIF
HKL
Paper
C11 H10 N2 O4 SP 1 21/n 111.039; 6.7554; 15.6951
90; 91.905; 90
1169.78Shahbaz, 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, 2022, 78
2022580 CIF
HKL
Paper
C12 H34 Co2 N6 O17P -18.606; 12.153; 13.562
77.48; 74.393; 72.198
1286.6Gallagher, 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, 2022, 78
2022581 CIF
HKL
Paper
C78 H64 N6 O14 Zn3P -111.0968; 12.8319; 13.3134
111.703; 108.028; 93.125
1643.97Mbani 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 <i>N</i>-phenylanthranilic acid ligands
Acta Crystallographica Section C, 2022, 78
2022582 CIF
HKL
Paper
C25 H30 N6 O4P 1 21/c 19.94703; 17.8262; 14.31
90; 92.0063; 90
2535.86Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022583 CIF
HKL
Paper
C26 H32 N6 O4P 1 21/c 19.7816; 18.3758; 14.1998
90; 91.029; 90
2551.93Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022584 CIF
HKL
Paper
C27 H34 N6 O4P 1 21/c 19.76826; 18.481; 14.42279
90; 90.7205; 90
2603.5Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022585 CIF
HKL
Paper
C28 H36 N6 O4P 1 21/c 19.77352; 19.3316; 14.3425
90; 90.3045; 90
2709.8Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022586 CIF
HKL
Paper
C28 H36 N6 O5P 1 21/c 110.25267; 19.21448; 14.29015
90; 90.1353; 90
2815.15Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022587 CIF
HKL
Paper
C25 H27 Cl3 N6 O3P 1 21/c 110.0422; 18.3553; 14.4134
90; 91.5895; 90
2655.77Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022588 CIF
HKL
Paper
C26 H29 N7 O3P 1 21/c 19.92522; 17.86566; 14.34306
90; 91.437; 90
2542.52Grosu, Ioana Georgeta; Martin, Flavia; Turza, Alexandru; Miclaus, Maria; Kacso, Irina; Borodi, Gheorghe
Structural studies of various olmesartan solvates
Acta Crystallographica Section C, 2022, 78
2022589 CIF
HKL
Paper
C58 H76 N6 S3P 1 21/c 126.461; 21.2115; 9.2552
90; 90.044; 90
5194.73Li, Gongchun; Wang, Wei; Zhan, Chun; Xiao, Shengqiang
Synthesis and properties of a novel decacyclic <i>S</i>,<i>N</i>-heteroacene
Acta Crystallographica Section C, 2022, 78
2022590 CIF
HKL
Paper
C12 H16 O4P 21 21 214.9935; 7.1864; 33.3673
90; 90; 90
1197.4Zhang, 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, 2022, 78
2022591 CIF
Paper
Ca10.974 O27.64 P6.012P 19.449; 9.449; 6.908
90; 90; 120
534.14Arnold, 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, 2022, 78
2022592 CIF
Paper
C16 H15 N3 O3P -110.0118; 11.8026; 13.6496
65.234; 73.354; 78.437
1397.18González-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, 2022, 78
2022593 CIF
Paper
C16 H18 N2 O4P c a 2113.6888; 11.037; 9.6269
90; 90; 90
1454.46González-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, 2022, 78
2022594 CIF
HKL
Paper
Cu Na2 Ni O8 P2P 1 21/n 15.13; 8.6729; 6.8473
90; 97.104; 90
302.311Kiriukhina, 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, 2022, 78
2022595 CIF
HKL
Paper
Cu Mn2 O8 P2P -14.8292; 5.4051; 6.5968
72.716; 86.579; 69.064
153.35Kiriukhina, 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, 2022, 78
2022596 CIF
HKL
Paper
C24 H588 Ce6 Mo124 N4 Na4 O664C 1 2/c 154.272; 38.896; 31.734
90; 112.145; 90
62048Al-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, 2022, 78
2022597 CIF
Paper
C4 H10 Ce Cl O9P 1 21 15.9097; 7.7974; 11.7206
90; 97.816; 90
535.07Belhouas, 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, 2022, 78, 314-321
2022600 CIF
HKL
Paper
C3 H5 Cl O3P 1 21/c 110.8897; 10.6951; 9.0496
90; 108.059; 90
1002.05Gordon, 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 <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022601 CIF
HKL
Paper
C3 H5 Br O3P 1 21/c 111.3076; 10.8912; 9.0769
90; 106.673; 90
1070.85Gordon, 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 <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022602 CIF
HKL
Paper
C3 H5 I O3P 1 21/c 111.4762; 5.437; 9.1941
90; 92.848; 90
572.97Gordon, 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 <i>Z</i>'
Acta Crystallographica Section C, 2022, 78, 257-264
2022603 CIF
HKL
Paper
C11 H17 Cl N2 O2P b c a8.77; 11.658; 23.843
90; 90; 90
2437.7van 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, 2022, 78
2022604 CIF
HKL
Paper
C11 H17 Br N2 O2P b c a8.859; 12.038; 23.805
90; 90; 90
2538.7van 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, 2022, 78
2022605 CIF
HKL
Paper
C14 H19 Br F2 I N2 O3P 1 21/c 112.9151; 11.3061; 12.5239
90; 90.6281; 90
1828.62van 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, 2022, 78
2022606 CIF
HKL
Paper
C18 H28 N4 O2P b c a6.9163; 12.5609; 19.9264
90; 90; 90
1731.11Ranaweera, 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, 2022, 78
2022607 CIF
HKL
Paper
C18 H14 Cl4 N2 OP 1 21/c 17.1902; 18.5341; 14.2507
90; 102.814; 90
1851.81Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022608 CIF
HKL
Paper
C20 H20 Cl4 N2 O2P -18.0766; 11.5926; 13.0383
115.423; 99.068; 94.776
1073.06Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022609 CIF
HKL
Paper
C18 H15 Cl4 N2 O1.5P 1 21/c 18.063; 33.261; 16.5481
90; 117.864; 90
3923.4Kaspiaruk, Hanna; Checińska, Lilianna
A comparison of three crystalline forms of miconazole: solvent-free, ethanol monosolvate and hemihydrate
Acta Crystallographica Section C, 2022, 78
2022610 CIF
HKL
Paper
C28 H20 O5 P ReP -19.9301; 10.1686; 12.7882
80.948; 71.899; 88.682
1211.6Schutte-Smith, Marietjie; Visser, Hendrik Gideon
Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]
Acta Crystallographica Section C, 2022, 78
2022611 CIF
HKL
Paper
C28 H17 Br3 O5 P ReP -18.5413; 8.7024; 20.376
102.221; 93.891; 109.093
1383.3Schutte-Smith, Marietjie; Visser, Hendrik Gideon
Crystal and molecular structures of <i>fac</i>-[Re(Bid)(PPh~3~)(CO)~3~] [Bid is tropolone (TropH) and tribromotropolone (TropBr~3~H)]
Acta Crystallographica Section C, 2022, 78
2022612 CIF
HKL
Paper
C18 H15 Ag Cl3 F3 N2 O7 SP 1 21/n 114.987; 10.835; 15.997
90; 100.49; 90
2554.2Jo, 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, 2022, 78
2022613 CIF
HKL
Paper
C17 H14 Ag F3 N2 O7 SP 1 21/c 18.4347; 15.5581; 14.9879
90; 100.31; 90
1935.07Jo, 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, 2022, 78
2022614 CIF
HKL
Paper
C20 H28 Cl O2.5P 31 2 110.5989; 10.5989; 28.4478
90; 90; 120
2767.58Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022615 CIF
HKL
Paper
C20 H27 Cl O2P 1 21 110.8409; 10.225; 16.4751
90; 93.759; 90
1822.31Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022616 CIF
HKL
Paper
C42 H60 Cl2 O7P 43 21 210.70311; 10.70311; 68.7275
90; 90; 90
7873.19Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022617 CIF
HKL
Paper
C42 H57 Cl2 F3 O5P 21 21 2110.3088; 12.9337; 29.6661
90; 90; 90
3955.41Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe
Solid forms and β-cyclodextrin complexation of turinabol
Acta Crystallographica Section C, 2022, 78, 305-313
2022618 CIF
HKL
Paper
C56 H70 Ho4 N4 O33P 1 21/n 19.0957; 17.4571; 11.5422
90; 95.107; 90
1825.45Zhou, 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, 2022, 78
2022619 CIF
HKL
Paper
C64 H82 Eu4 N6 O32P 1 21/n 19.3197; 17.6285; 11.2707
90; 94.131; 90
1846.88Zhou, 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, 2022, 78
2022620 CIF
HKL
Paper
C17 H20 N4 O5P 21 21 217.2057; 11.0792; 41.2346
90; 90; 90
3291.9Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank
The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition
Acta Crystallographica Section C, 2022, 78
2022621 CIF
HKL
Paper
C10 H9 N O S2P 1 c 14.9916; 10.8497; 10.0075
90; 98.411; 90
536.15Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt
Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide
Acta Crystallographica Section C, 2022, 78
2022622 CIF
HKL
Paper
C29 H39 N5 O22C 1 c 19.4539; 29.9892; 13.1934
90; 106.454; 90
3587.3Nirmal 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, 2022, 78
2022623 CIF
HKL
Paper
C8 H7 N7 O7P 1 21/c 16.2591; 11.1312; 17.2257
90; 98.646; 90
1186.5Nirmal 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, 2022, 78
2022624 CIF
HKL
Paper
C14 H14 Cl N3 O4P c a 2123.7648; 8.5785; 6.9373
90; 90; 90
1414.28Kochel, 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 <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties
Acta Crystallographica Section C, 2022, 78
2022625 CIF
HKL
Paper
C28 H20 B2 Cu3 F8 N6 O6P b c n21.9637; 12.4106; 11.5844
90; 90; 90
3157.71Kochel, 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 <i>N</i>,<i>O</i>-donor ligand generated <i>via</i> solvothermal synthesis: structural features and magnetic properties
Acta Crystallographica Section C, 2022, 78
2022626 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/n 19.4503; 12.7805; 10.9605
90; 100.687; 90
1300.84Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022627 CIF
HKL
Paper
C13 H9 I N2 O2P 1 21/n 110.4088; 5.32; 23.5462
90; 91.606; 90
1303.35Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022628 CIF
HKL
Paper
C13 H9 Br N2 O2P 1 21/n 110.2264; 5.3123; 23.281
90; 92.048; 90
1263.9Bosch, Eric; Bowling, Nathan P.
Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Acta Crystallographica Section C, 2022, 78
2022645 CIF
HKL
Paper
C12 H12 Fe N8P -17.7235; 9.4051; 10.5846
112.585; 102.828; 92.852
684.36Setifi, 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, 2022, 78
2022646 CIF
HKL
Paper
C12 H12 Fe N8P 1 21/c 17.4901; 18.3242; 10.6219
90; 110.017; 90
1369.79Setifi, 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, 2022, 78
2022647 CIF
HKL
Paper
C4 H8 Br N3 OP 1 21/n 18.7252; 7.7772; 10.7406
90; 97.969; 90
721.79Jeyaraman 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, 2022, 78
2022648 CIF
HKL
Paper
C11 H14 N4 O3P 1 21 17.9887; 6.6098; 11.4753
90; 102.08; 90
592.52Jeyaraman 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, 2022, 78
2022649 CIF
HKL
Paper
C11 H11 N5 O7P 1 21/c 15.4175; 22.634; 11.3668
90; 98.696; 90
1377.8Jeyaraman 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, 2022, 78
2022650 CIF
HKL
Paper
C21 H15 Br N4 O2 SP -15.781; 12.717; 14.655
67.751; 78.78; 82.94
976.7Branowska, 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, 2022, 78
2022651 CIF
HKL
Paper
C24 H20 N4 O4 SP 1 21/n 110.919; 8.0871; 24.875
90; 96.65; 90
2181.8Branowska, 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, 2022, 78

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