Crystallography Open Database
Search results
Result: there are 292 entries in the selection
Switch to the old layout of the pageDownload 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 76
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
---|---|---|---|---|---|---|
2022250 | CIF HKL Paper | C18 H20 O5 | P 1 21/c 1 | 9.9167; 6.9587; 23.2803 90; 96.988; 90 | 1594.58 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej Two new polymorphic forms of combretastatin A-4, an antitumour agent Acta Crystallographica Section C, 2020, 76, 958-964 |
2022251 | CIF HKL Paper | C18 H20 O5 | P c a 21 | 25.9293; 8.8657; 14.3503 90; 90; 90 | 3298.87 | Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Buśko, Daria; Kubicki, Maciej Two new polymorphic forms of combretastatin A-4, an antitumour agent Acta Crystallographica Section C, 2020, 76, 958-964 |
2022252 | CIF HKL Paper | C5 H10 N10 O6 | P b c n | 7.7416; 8.9487; 17.168 90; 90; 90 | 1189.4 | Li, Hongya; Yan, Biao; Ma, Haixia; Ma, Xiangrong; Sun, Zhiyong; Ma, Yajun Crystal structure, thermal properties and detonation characterization of bis(5-amino-1,2,4-triazol-4-ium-3-yl)methane dinitrate Acta Crystallographica Section C, 2020, 76, 965-971 |
2022253 | CIF HKL Paper | C12 H16 N2 Na2 O10 S2 | C 1 2/c 1 | 21.2141; 5.537; 15.3045 90; 90.31; 90 | 1797.68 | Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J. Structures of five salt forms of disulfonated monoazo dyes Acta Crystallographica Section C, 2020, 76, 972-981 |
2022254 | CIF HKL Paper | C12 H16 Ca N2 O10 S2 | P -1 | 6.3875; 6.747; 11.303 94.289; 103.16; 108.456 | 444.21 | Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J. Structures of five salt forms of disulfonated monoazo dyes Acta Crystallographica Section C, 2020, 76, 972-981 |
2022255 | CIF HKL Paper | C12 H18 N3 Na O10 S2 | P 1 21/c 1 | 13.9454; 19.517; 6.9014 90; 93.838; 90 | 1874.2 | Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J. Structures of five salt forms of disulfonated monoazo dyes Acta Crystallographica Section C, 2020, 76, 972-981 |
2022256 | CIF HKL Paper | C24 H48 Mg N6 O26 S4 | C 1 2/c 1 | 36.896; 6.7806; 17.914 90; 111.178; 90 | 4179 | Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J. Structures of five salt forms of disulfonated monoazo dyes Acta Crystallographica Section C, 2020, 76, 972-981 |
2022257 | CIF HKL Paper | C14 H25 Ba N3 O13 S2 | P b c a | 7.1293; 18.8368; 34.752 90; 90; 90 | 4667 | Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J. Structures of five salt forms of disulfonated monoazo dyes Acta Crystallographica Section C, 2020, 76, 972-981 |
2022258 | CIF HKL Paper | C8 H10 N8 S2 | C 1 c 1 | 12.3766; 10.7745; 9.205 90; 104.777; 90 | 1186.9 | Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C, 2020, 76, 992-999 |
2022259 | CIF HKL Paper | C9 H12 N8 S2 | F d d 2 | 36.9868; 15.5842; 4.2131 90; 90; 90 | 2428.47 | Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C, 2020, 76, 992-999 |
2022260 | CIF HKL Paper | C6 H10 N4 O S | P 1 21/c 1 | 8.6783; 9.1691; 11.4391 90; 97.846; 90 | 901.71 | Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C, 2020, 76, 992-999 |
2022261 | CIF HKL Paper | C4 H5 K N4 O2 S | P -1 | 6.9631; 8.035; 8.0886 103.021; 111.568; 106.007 | 376.56 | Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej When solvent becomes reactant: a study of 6-aminothiocytosine derivatives Acta Crystallographica Section C, 2020, 76, 992-999 |
2022262 | CIF HKL Paper | C13 H10.5 Cl2 N3.5 O2 Pt | C 2 2 21 | 7.4469; 27.9271; 14.3092 90; 90; 90 | 2975.89 | Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J. Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity Acta Crystallographica Section C, 2020, 76 |
2022263 | CIF HKL Paper | C25 H36 Cd N4 O8 | P 1 21/c 1 | 9.0047; 16.5608; 19.4709 90; 107.493; 90 | 2769.3 | Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^ Acta Crystallographica Section C, 2020, 76 |
2022264 | CIF HKL Paper | C19 H27 Cd N2 O5 | P -1 | 8.2423; 10.6568; 12.4175 105.466; 92.7; 103.416 | 1015.6 | Zhao, Fang-Hua; Li, Shi-Yao; Guo, Wen-Yu; Zhao, Zi-Hao; Guo, Xiao-Wen; Li, Yu-Shuo; Fan, Sheng-Qing; Li, Zhong-Lin Two new Cd^II^ MOFs of 1,4-bis(1<i>H</i>-benzimidazol-1-yl)butane and flexible dicarboxylate ligands: luminescence sensing towards Fe^3+^ Acta Crystallographica Section C, 2020, 76 |
2022265 | CIF HKL Paper | C32 H31 Br N2 O2 | P 21 21 21 | 11.1584; 13.6425; 36.061 90; 90; 90 | 5489.5 | Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L. Crystal structures of salts of bedaquiline Acta Crystallographica Section C, 2020, 76 |
2022266 | CIF HKL Paper | C36 H35 Br N2 O6 | P 1 21 1 | 16.4556; 10.3205; 20.1636 90; 109.183; 90 | 3234.2 | Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L. Crystal structures of salts of bedaquiline Acta Crystallographica Section C, 2020, 76 |
2022267 | CIF HKL Paper | C17 H14 Br N O | P 21 21 21 | 4.3606; 10.82; 29.886 90; 90; 90 | 1410.1 | Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L. Crystal structures of salts of bedaquiline Acta Crystallographica Section C, 2020, 76 |
2022268 | CIF HKL Paper | C39 H39.34 Br N2 O5.17 | P 1 21 1 | 12.6384; 7.9259; 17.5249 90; 99.845; 90 | 1729.63 | Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L. Crystal structures of salts of bedaquiline Acta Crystallographica Section C, 2020, 76 |
2022269 | CIF HKL Paper | C40.48 H41.23 Br N2.74 O5 | P 1 21 1 | 12.8661; 8.0386; 17.4704 90; 101.093; 90 | 1773.12 | Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L. Crystal structures of salts of bedaquiline Acta Crystallographica Section C, 2020, 76 |
2022270 | CIF HKL Paper | C19 H17 Cl2 N O2 | P 1 21 1 | 3.96521; 16.7005; 12.4252 90; 91.185; 90 | 822.63 | Alsafi, Mona A.; Hughes, David L.; Said, Musa A. First COVID-19 molecular docking with a chalcone-based compound: synthesis, single-crystal structure and Hirshfeld surface analysis study Acta Crystallographica Section C Structural Chemistry, 2020, 76 |
2022271 | CIF HKL Paper | C28 H32 Ca3 N4 O29 | P -1 | 6.9363; 15.9791; 16.9786 90.844; 93.106; 98.296 | 1858.93 | Lumpe, Henning; Mayer, Peter; Daumann, Lena J. Crystal structure of a calcium(II)‒pyrroloquinoline quinone (PQQ) complex outside a protein environment Acta Crystallographica Section C, 2020, 76 |
2022272 | CIF HKL Paper | C8 H20 Cl3 Mo O3 | P 21 21 21 | 8.6186; 12.25; 13.5681 90; 90; 90 | 1432.5 | Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V) Acta Crystallographica Section C, 2020, 76, 947-951 |
2022273 | CIF HKL Paper | C20 H30 N4 O8 | P 1 21/c 1 | 11.071; 18.892; 13.115 90; 123.29; 90 | 2292.9 | Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos Removing the C-terminal protecting group enlarges the crystal size: Z‒(Gly‒Aib)~2~‒OH·H~2~O Acta Crystallographica Section C, 2020, 76 |
2022274 | CIF HKL Paper | C48 H42 Mo6 N4 O32 | P n n m | 19.3159; 15.0183; 19.6537 90; 90; 90 | 5701.4 | Chen, Wen-Tong Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin Acta Crystallographica Section C, 2020, 76 |
2022275 | CIF HKL Paper | C22 H16 N3 O4.5 Zn | P 1 21/n 1 | 11.0556; 9.5218; 18.2923 90; 100.732; 90 | 1891.9 | Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing Acta Crystallographica Section C, 2020, 76 |
2022276 | CIF HKL Paper | C30 H22 Cu N2 O6 | P -1 | 11.0642; 11.1234; 11.6697 61.912; 86.182; 80.602 | 1249.97 | Zuo, Yuxiang; Yang, Jie; Chen, Cheng; Xue, Yun-Shan; Zhang, Jun Assembly of two novel coordination polymers by selecting ditopic or chelating auxiliary ligands with naphthalene-2,6-dicarboxylic acid: synthesis, structure and luminescence sensing Acta Crystallographica Section C, 2020, 76 |
2022277 | CIF HKL Paper | C66 H56 O10 | P -1 | 13.574; 13.829; 14.657 79.013; 87.544; 83.381 | 2682.3 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022278 | CIF HKL Paper | C30 H32 O10 | P 1 21/n 1 | 12.147; 20.697; 12.702 90; 117.432; 90 | 2834 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022279 | CIF HKL Paper | C24 H14 F6 O4 | C 1 2/c 1 | 30.399; 9.176; 14.994 90; 97.204; 90 | 4149 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022280 | CIF HKL Paper | C38 H32 O6 | P -1 | 10.239; 13.056; 23.923 86.992; 89.198; 73.621 | 3064 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022281 | CIF HKL Paper | C26 H24 O6 | P 1 21/n 1 | 9.033; 6.427; 37.08 90; 91.948; 90 | 2151.4 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022282 | CIF HKL Paper | C24 H14 F6 O4 | I 1 2/a 1 | 23.308; 7.132; 27.253 90; 112.62; 90 | 4182 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022283 | CIF HKL Paper | C27 H24 N2 O9 | P 1 21 1 | 13.5302; 4.6101; 19.3371 90; 103.603; 90 | 1172.33 | Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D. Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality Acta Crystallographica Section C, 2020, 76, 1100-1107 |
2022284 | CIF HKL Paper | C27 H23 Cl N2 O9 | C 1 2 1 | 40.6637; 4.52749; 12.7049 90; 98.027; 90 | 2316.11 | Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D. Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality Acta Crystallographica Section C, 2020, 76, 1100-1107 |
2022285 | CIF HKL Paper | C8 H18 F2 I4 N2 Pb | P 1 21/c 1 | 13.6842; 8.5302; 8.9518 90; 107.996; 90 | 993.81 | Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]] Acta Crystallographica Section C, 2020, 76, 1096-1099 |
2022295 | CIF HKL Paper | C13 H10 Br N O | P c a 21 | 12.2768; 4.4829; 19.6694 90; 90; 90 | 1082.52 | Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. (<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism Acta Crystallographica Section C, 2020, 76, 1001-1004 |
2022296 | CIF HKL Paper | C13 H10 Br N O | C 1 c 1 | 25.8944; 6.9439; 6.1499 90; 91.381; 90 | 1105.48 | Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A. (<i>E</i>)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism Acta Crystallographica Section C, 2020, 76, 1001-1004 |
2022359 | CIF Paper | C12 H17 N5 O S | P 1 21/c 1 | 14.0601; 10.9903; 8.7228 90; 97.16; 90 | 1337.38 | Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives Acta Crystallographica, Section C, 2020, 76, 673-680 |
2022360 | CIF HKL Paper | C12 H18 Cl N5 O2 S | P 1 21/c 1 | 6.8829; 11.8924; 19.0594 90; 98.737; 90 | 1541.99 | Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives Acta Crystallographica, Section C, 2020, 76, 673-680 |
2022361 | CIF HKL Paper | C17 H19 Cl N6 S | P 1 21/n 1 | 11.2996; 9.387; 18.9935 90; 101.8; 90 | 1972.05 | Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives Acta Crystallographica, Section C, 2020, 76, 673-680 |
2022362 | CIF HKL Paper | C6 H7 Cl N4 | P 21 21 21 | 3.77379; 5.63483; 32.9783 90; 90; 90 | 701.273 | Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives Acta Crystallographica, Section C, 2020, 76, 673-680 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!