Crystallography Open Database
Search results
Result: there are 199 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 80
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2312602 | CIF Paper | C26 H17 B N6 O | P 1 21/n 1 | 9.0313; 14.22; 16.474 90; 102.667; 90 | 2064.2 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312603 | CIF Paper | C26 H17 B N6 O | P 1 21/n 1 | 9.0304; 14.2423; 16.4452 90; 102.476; 90 | 2065.1 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312668 | CIF HKL Paper | C56 H85 B Ce Cl O8 | P 1 21/n 1 | 13.6042; 12.5699; 32.334 90; 90.041; 90 | 5529.2 | Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A. Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 761-765 |
2312669 | CIF HKL Paper | C56 H85 B Ce Cl O8 | P 1 21/n 1 | 13.7578; 12.5548; 32.8512 90; 90.336; 90 | 5674.2 | Thomas, Jarrod R.; Sarma, Kavisha A.; Giansiracusa, Marcus J.; Sulway, Scott A. Structural comparison of [Ce(O<sup>t</sup>Bu)Cl(THF)<sub>5</sub>](BPh<sub>4</sub>) to smaller rare earth analogues. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 761-765 |
2312519 | CIF Paper | C70 H120 Cu2 N4 O30 | P 1 c 1 | 9.7404; 20.3001; 22.9088 90; 118.494; 90 | 3981.1 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2022997 | CIF HKL Paper | C15 H17 Br N2 S | P 21 21 21 | 7.9846; 9.1982; 19.3636 90; 90; 90 | 1422.14 | Savin, J. Alejandro; Ávila-Ortíz, C. Gabriela; Leyva-Ramírez, Marco Antonio; Juaristi, Eusebio X-ray crystallographic structure of a novel enantiopure chiral isothiourea with potential applications in enantioselective synthesis Acta Crystallographica Section C Structural Chemistry, 2024, 80, 15-20 |
2023210 | CIF HKL Paper | C17 H22 N6 O2 | P 21 21 21 | 9.9563; 15.1596; 23.6491 90; 90; 90 | 3569.4 | Peng, Ziyu; Ye, Long Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate Acta Crystallographica Section C Structural Chemistry, 2024, 80 |
2023211 | CIF HKL Paper | C17 H21 N6 O4 P | P 21 21 21 | 7.1398; 12.0894; 43.818 90; 90; 90 | 3782.2 | Peng, Ziyu; Ye, Long Comparison of the crystal structures of the JAK1/2 inhibitor ruxolitinib and its hydrate and phosphate Acta Crystallographica Section C Structural Chemistry, 2024, 80 |
2312397 | CIF Paper | C58 H52 N4 O8 | P 21 21 21 | 33.5486; 26.4223; 5.36515 90; 90; 90 | 4755.84 | Guerain, Mathieu; Correia, Natalia T.; Roca-Paixão, Luisa; Chevreau, Hubert; Affouard, Frederic Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 37-42 |
2312470 | CIF Paper | C13 H14 O5 | P 21 21 21 | 4.9524; 11.0302; 20.9007 90; 90; 90 | 1141.72 | Decato, Daniel; Palatinus, Lukáš; Stierle, Andrea; Stierle, Donald Absolute structure determination of Berkecoumarin by X-ray and electron diffraction. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312550 | CIF Paper | C29 H40 O9 | P 21 21 21 | 9.2707; 15.2236; 20.0806 90; 90; 90 | 2834 | Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312551 | CIF Paper | C29 H40 O9 | P 21 21 21 | 9.302; 15.412; 20.191 90; 90; 90 | 2894.6 | Asmaey, Mostafa A.; Kalofolias, Dimitris A.; Charavgi, Maria Despoina; Abdel-Rahim, Ismail R; Chrysina, Evangelia D.; Abatis, Dennis Crystal structure of the cytotoxic macrocyclic trichothecene Isororidin A. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312557 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.89; 5.99; 12.22 90; 90; 90 | 431 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
2312558 | CIF Paper | C3 H7 N O2 | P 21 21 21 | 5.89; 5.99; 12.22 90; 90; 90 | 431 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
2312617 | CIF Paper | C4 H12 Ca O10 | P 21 21 21 | 9.1587; 9.5551; 10.5041 90; 90; 90 | 919.24 | Polo, Alvaro; Soriano, Alejandro; Rodríguez, Ricardo; Macías, Ramón; García-Orduña, Pilar; Sanz Miguel, Pablo J. Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312618 | CIF HKL Paper | C24 H35 N2 O6.5 | P 21 21 21 | 8.1508; 11.0066; 25.7084 90; 90; 90 | 2306.37 | Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312619 | CIF HKL Paper | C22 H32 N2 O5 | P 21 21 21 | 9.2999; 12.7329; 17.5349 90; 90; 90 | 2076.39 | Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312691 | CIF Paper | C2 H9 As2 F12 N O3 S | P 21 21 21 | 9.711; 9.7629; 13.5461 90; 90; 90 | 1284.27 | Bockmair, Valentin; Klöck, Andreas; Hollenwäger, Dirk; Kornath, Andreas J. Diprotonation of taurine: 2-[dihydroxy(oxo)sulfanyliumyl]ethanaminium bis[hexafluoroarsenate(V)]. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312693 | CIF Paper | C Cl F16 O Sb3 | P 31 | 8.0824; 8.0824; 18.3341 90; 90; 120 | 1037.22 | Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J. Protonated oxalyl chloride and the ClCO<sup>+</sup> cation. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312483 | CIF Paper | C12 H16 N2 O4 | P 41 21 2 | 11.1312; 11.1312; 10.894 90; 90; 90 | 1349.8 | González-González, Juan Saulo; Martínez-Santos, Alfonso; Emparán-Legaspi, María José; Pineda-Contreras, Armando; Martínez-Martínez, Francisco Javier; Flores-Alamo, Marcos; García-Ortega, Hector Molecular structure and selective theophylline complexation by conformational change of diethyl N,N'-(1,3-phenylene)dicarbamate. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312620 | CIF HKL Paper | C15 H27.5 N2 O2.75 | P 43 21 2 | 11.7364; 11.7364; 21.9295 90; 90; 90 | 3020.64 | Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312666 | CIF HKL Paper | C20 H15 N5 | P b c 21 | 4.8448; 25.9645; 26.5071 90; 90; 90 | 3334.4 | Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 748-760 |
2023076 | CIF Paper | C18 H19 Br N2 O3 S | P b c a | 12.407; 17.425; 17.5276 90; 90; 90 | 3789.3 | Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 129-142 |
2312420 | CIF HKL Paper | C17 H12 N6 | P b c a | 8.5626; 18.701; 19.024 90; 90; 90 | 3046.3 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312424 | CIF HKL Paper | C18 H14 N6 | P b c a | 15.7069; 11.8266; 17.5763 90; 90; 90 | 3265 | Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312476 | CIF HKL Paper | C6 H10 N8 O12 | P b c a | 21.4196; 6.1927; 21.9265 90; 90; 90 | 2908.44 | Domasevitch, Kostiantyn V.; Krautscheid, Harald Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312517 | CIF Paper | C56 H52 Cu2 N4 O20 | P b c a | 17.5993; 16.4583; 19.7389 90; 90; 90 | 5717.46 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312524 | CIF Paper | C3 H8 N2 O4 | P b c a | 9.9714; 9.8671; 11.1884 90; 90; 90 | 1100.81 | Hollenwäger, Dirk; Nitzer, Alexander; Bockmair, Valentin; Kornath, Andreas J. The crystal structure of the ammonium salt of 2-aminomalonic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 291-296 |
2312537 | CIF Paper | C27 H23 Br Mn O2 P S2 | P b c a | 16.5563; 16.2392; 19.3372 90; 90; 90 | 5199 | Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>]. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312541 | CIF HKL Paper | C25 H21 Cl N2 O4 S | P b c a | 10.792; 18.713; 23.299 90; 90; 90 | 4705.25 | Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312542 | CIF HKL Paper | C25 H20 Cl F N2 O4 S | P b c a | 10.536; 19.246; 23.343 90; 90; 90 | 4733.4 | Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312605 | CIF Paper | C28 H21 B N6 O | P b c a | 14.6398; 15.2842; 20.5313 90; 90; 90 | 4594 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312690 | CIF HKL Paper | C16 H25 Fe3 O17 | P b c a | 15.8661; 15.864; 19.5003 90; 90; 90 | 4908.22 | Abrahams, Brendan F.; Robson, Richard; Commons, Christopher J. A polymeric form of basic iron(III) acetate with an acetic acid ligand. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312548 | CIF HKL Paper | C27 H22 Br2 Co N3 O2 S3 | P c a 21 | 16.5337; 13.2578; 13.4575 90; 90; 90 | 2949.9 | Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312549 | CIF Paper | F7 Ge H2 Na | P c a 21 | 12.3786; 7.2189; 11.4969 90; 90; 90 | 1027.36 | Bockmair, Valentin; Hoch, Constantin; Schusterbauer, Irina; Kornath, Andreas J. Na[GeF<sub>5</sub>]·2HF: the first quarternary phase in the H-Na-Ge-F system. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312465 | CIF Paper | C12 H13 N3 O4 S | P c c n | 12.6592; 28.3597; 7.1268 90; 90; 90 | 2558.6 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312469 | CIF Paper | C12 H9 K N2 O4 S | P c c n | 12.5535; 27.9698; 6.9982 90; 90; 90 | 2457.2 | Kennedy, Alan R.; Kirkhouse, Jennifer B. A.; McCarney, Karen M.; Puissegur, Olivier Isostructural behaviour in ammonium and potassium salt forms of sulfonated azo dyes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 66-79 |
2312509 | CIF Paper | C52 H68 Cu2 O24 | P c c n | 27.7701; 21.2278; 9.3888 90; 90; 90 | 5534.7 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312657 | CIF Paper | C22 H18 Fe S2 | P m n 21 | 14.0977; 7.1607; 8.8504 90; 90; 90 | 893.44 | Blockhaus, Tobias; Sünkel, Karlheinz Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 716-727 |
2312513 | CIF Paper | C85 H108 Cu4 N2 O32 | P n m a | 12.833; 54.548; 12.119 90; 90; 90 | 8483 | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312553 | CIF HKL Paper | C14 H10 Br N3 | P n m a | 8.7734; 7.0554; 19.7544 90; 90; 90 | 1222.79 | Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312573 | CIF HKL Paper | C18 H14 Br2 N6 O Zn | P n m a | 14.4614; 14.1299; 10.1503 90; 90; 90 | 2074.09 | Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R. Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312575 | CIF HKL Paper | C18 H14 Cl2 N6 O Zn | P n m a | 14.1507; 14.0162; 9.8624 90; 90; 90 | 1956.1 | Dailey, Maegan; Jackson, Eric W.; Ramadhar, Timothy R. Crystal structures, phase transition, and Hirshfeld surface analyses of the bromide and chloride congeners of aqua[2,4,6-tris(pyridin-4-yl)-1,3,5-triazine]zinc(II) halide. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312599 | CIF Paper | C24 H12 B Cl N6 | P n m a | 12.0315; 14.8174; 10.3002 90; 90; 90 | 1836.3 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312600 | CIF Paper | C24 H12 B Br N6 | P n m a | 12.001; 15.0617; 10.3879 90; 90; 90 | 1877.67 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312601 | CIF Paper | C25 H15 B N6 O | P n m a | 12.3162; 15.2325; 10.4151 90; 90; 90 | 1953.9 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312609 | CIF Paper | C34 H19 B N6 O | P n m a | 17.133; 13.929; 10.3669 90; 90; 90 | 2474 | Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P. The influence of the axial group on the crystal structures of boron subphthalocyanines. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2023017 | CIF Paper | C66 H44 Cu3 Eu2 N18 O31 | R -3 c :H | 14.0021; 14.0021; 63.523 90; 90; 120 | 10785.7 | Yang, Ke; Yang, Yuting; Yao, Ziqin; Cheng, Sisi; Cui, Xue; Wang, Xingyi; Han, Yi; Yi, Feiyan; Mo, Guang High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton Acta Crystallographica Section C Structural Chemistry, 2024, 80, 49-55 |
2312667 | CIF HKL Paper | C20 H15 Cd Cl2 N5 | R -3 c :H | 34.6379; 34.6379; 18.4784 90; 90; 120 | 19199.9 | Zhang, Qing; Wang, Zi Quan; Xing, Dian Xiang; Wang, Shou Juan; Tan, Xue Jie Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 748-760 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!