Crystallography Open Database

Result: there are 155 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta Crystallographica Section C Structural Chemistry' volume of publication is 78

Left arrow Left arrow First | Left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
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

Left arrow Left arrow First | Left arrow Previous 50 | of 4 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!