Crystallography Open Database
Search results
Result: there are 103 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 81
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2023339 | CIF HKL Paper | C12 H20 Ba N2 O11 | P -1 | 6.813; 8.058; 16.011 101.781; 91.365; 92.345 | 859.3 | Zhao, Xin-Yi; Yu, Hai-Yan; Zhang, Hong-Tao A twofold interpenetrated three-dimensional barium(II) metal–organic framework constructed from 2,2′-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure, dihydrogen bonding and spectroscopic properties Acta Crystallographica Section C Structural Chemistry, 2025, 81, 43-53 |
| 2023366 | CIF Paper | C20 H27 P | P 1 2/n 1 | 6.5476; 5.991; 21.5676 90; 96.02; 90 | 841.36 | Liu, Mo; Izod, Keith; Waddell, Paul G. Polymorphism in a secondary phosphine Acta Crystallographica Section C Structural Chemistry, 2025, 81, 109-113 |
| 2023367 | CIF Paper | C20 H27 P | P 1 21/c 1 | 12.8874; 8.8455; 15.4635 90; 104.108; 90 | 1709.6 | Liu, Mo; Izod, Keith; Waddell, Paul G. Polymorphism in a secondary phosphine Acta Crystallographica Section C Structural Chemistry, 2025, 81, 109-113 |
| 2023368 | CIF Paper | C7 H10 Cl N3 Na O6.5 S2 | P -1 | 8.3728; 9.0819; 9.6533 83.013; 74.055; 70.189 | 663.7 | Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka On the deprotonation of chlorothiazide Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108 |
| 2023369 | CIF Paper | C7 H10 Cl K N3 O6.5 S2 | C 1 2/c 1 | 18.3139; 7.3622; 19.967 90; 99.734; 90 | 2653.4 | Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka On the deprotonation of chlorothiazide Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108 |
| 2023370 | CIF Paper | C7 H7 Cl Cs N3 O5 S2 | P -1 | 7.7126; 9.0593; 10.1381 93.976; 107.539; 107.8 | 632.841 | Brydson, Rowan K. H.; Gray, Morven L.; Kennedy, Alan R.; O'Hara, Benjamin C.; Reid, Michael W.; Ugbolue, Ifeka On the deprotonation of chlorothiazide Acta Crystallographica Section C Structural Chemistry, 2025, 81, 102-108 |
| 2023420 | CIF HKL Paper | C16 H16 Cl N3 O3 S | P -1 | 6.555; 10.14; 12.403 83.15; 89.65; 88.82 | 818.3 | Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka 7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 198-211 |
| 2023421 | CIF HKL Paper | C34 H38 Cl2 N6 O7 S3 | C 1 2/c 1 | 26.379; 6.539; 22.02 90; 103.05; 90 | 3700.2 | Wójcicka, Anna; Bryndal, Iwona; Krupińska, Magdalena; Wolska, Aleksandra; Milewski, Jakub; Pyra, Anna; Becan, Lilianna; Mączyński, Marcin; Matera-Witkiewicz, Agnieszka 7-(4-Chlorophenyl)-1-hydroxy-5-methylpyrido[3,4-d]pyridazin-4(3H)-one: synthesis, solvatomorphism, in vitro anti-inflammatory and cytotoxic activity studies and in silico analysis. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 198-211 |
| 2023519 | CIF HKL Paper | B2 Ca F8 H8 O4 | P -1 | 5.5192; 7.6756; 11.6518 77.439; 89.579; 88.625 | 481.65 | Armel Le Bail Ca(BF~4~)~2~.<i>x</i>H~2~O redefined from powder diffraction as hydrogen-bonded Ca(H~2~O)~4~(BF~4~)~2~ ribbons Acta Crystallographica, Section C, 2025, 81, 338-341 |
| 2312720 | CIF HKL Paper | C21 H27 N7 S | P -1 | 10.6953; 12.8703; 15.4917 95.157; 107.466; 97.8737 | 1995.51 | Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata Synthesis, structure and biological activity of new picolinohydrazonamide derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312721 | CIF HKL Paper | C47 H64 N14 O3 S2 | P c a 21 | 16.45775; 11.96434; 23.87725 90; 90; 90 | 4701.58 | Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata Synthesis, structure and biological activity of new picolinohydrazonamide derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312722 | CIF HKL Paper | C25 H36.57 N8 O1.29 S | P 1 21/c 1 | 13.1063; 12.8414; 15.6327 90; 98.255; 90 | 2603.77 | Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata Synthesis, structure and biological activity of new picolinohydrazonamide derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312723 | CIF Paper | Al8 H16 Na8 O48 Si12 | F d d 2 | 18.634; 18.788; 6.8361 90; 90; 90 | 2393.3 | Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312724 | CIF Paper | C6 H12 Cl N3 O3 | P 21 21 21 | 6.7936; 8.8294; 15.1621 90; 90; 90 | 909.47 | Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312725 | CIF Paper | C24 H18 | P n a 21 | 7.5893; 19.7154; 11.2305 90; 90; 90 | 1680.38 | Vypritskaia, Angelina; Zou, Xiaodong; Yang, Taimin; Waterman, David Geoffrey How to use DIALS to process chemical crystallography 3D ED rotation data from pixel array detectors. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312730 | CIF Paper | C4 H4 O2 | P 1 21/n 1 | 3.8409; 15.593; 7.6149 90; 99.91; 90 | 449.26 | Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J. The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312731 | CIF Paper | C4 H5 As F6 O2 | P 1 21/n 1 | 6.9609; 8.9319; 13.7189 90; 91.664; 90 | 852.6 | Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J. The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312732 | CIF Paper | C6 H8 O4 | P -1 | 3.8726; 5.6546; 8.3778 100.642; 100.42; 105.73 | 168.3 | Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J. The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312733 | CIF Paper | C6 H11 B F6 O4 | P b c a | 12.8759; 11.8899; 14.6252 90; 90; 90 | 2239.02 | Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J. The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312734 | CIF Paper | C3 H5 F11 O2 Sb2 | P b c a | 7.8461; 15.1531; 19.5536 90; 90; 90 | 2324.8 | Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J. The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312735 | CIF HKL Paper | C20 H36 F2 N2 O10 S2 | P 1 21/c 1 | 10.67269; 15.8882; 16.099 90; 104.633; 90 | 2641.36 | Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312736 | CIF HKL Paper | C20 H36 F2 N2 O10 S2 | P 1 21/c 1 | 10.57046; 15.7746; 15.8622 90; 104.483; 90 | 2560.89 | Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang Crown ether inclusion compound 3,4-difluoroanilinium di(methanesulfonyl)amidate-18-crown-6 (1/1) clathrate. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312738 | CIF Paper | C3 H6 F5 N O2 | P 21 21 21 | 5.5736; 9.2154; 12.7952 90; 90; 90 | 657.2 | Hollenwäger, Dirk; Leitz, Dominik; Bockmair, Valentin; Kornath, Andreas J. Monoprotonated species of 2-aminomalonyl difluoride, [C<sub>3</sub>H<sub>4</sub>F<sub>2</sub>NO<sub>2</sub>][H<sub>2</sub>F<sub>3</sub>]. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312739 | CIF HKL Paper | C33 H32 Fe2 N4 O3 S2 | P b c a | 12.6983; 21.8868; 22.6831 90; 90; 90 | 6304.2 | Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312740 | CIF HKL Paper | C30 H26 Fe2 N4 O2 S2 | P 1 21/n 1 | 8.424; 31.266; 10.566 90; 94.2; 90 | 2775 | Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312741 | CIF HKL Paper | C30 H26 Fe2 N4 O2 S2 | P -1 | 10.0024; 11.7058; 12.3942 87.781; 69.633; 82.005 | 1347.2 | Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312742 | CIF HKL Paper | C20 H19 N O2 | P -1 | 5.62; 8.62; 16.07 91.113; 91.423; 96.92 | 772.4 | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia Conformational versatility among crystalline solids of L-phenylalanine derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312743 | CIF HKL Paper | C22 H24 Cl N O4 | P 21 21 21 | 5.058; 14.786; 26.482 90; 90; 90 | 1981 | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia Conformational versatility among crystalline solids of L-phenylalanine derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312744 | CIF HKL Paper | C20 H28 N Na O7 | P 1 21 1 | 6.636; 6.947; 22.583 90; 97.955; 90 | 1031.06 | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia Conformational versatility among crystalline solids of L-phenylalanine derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312745 | CIF HKL Paper | C40 H38 N2 O5 Zn | P 1 21/c 1 | 11.56; 7.91; 36.46 90; 95.156; 90 | 3320 | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia Conformational versatility among crystalline solids of L-phenylalanine derivatives. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312746 | CIF Paper | C7 H5 As2 F11 O | P 1 21/n 1 | 10.6376; 9.9099; 13.0019 90; 101.806; 90 | 1341.63 | Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J. Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312747 | CIF Paper | C7 H5 F O | P 1 21/n 1 | 12.592; 7.2274; 13.473 90; 104.77; 90 | 1185.6 | Bockmair, Valentin; Regnat, Martin; Tran, Huu Khanh Trinh; Kornath, Andreas J. Structural investigations of the benzoyl fluoride and the benzoacyl cation of low-melting compounds and reactive intermediates. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312748 | CIF Paper | S8 | F d d d :1 | 10.4947; 12.7876; 24.9428 90; 90; 90 | 3347.37 | Rahimisheikh, Sepideh; Hajizadeh, Amirhossein; Quintelier, Matthias; Stulens, Sander; Hardy, An; Hadermann, Joke Crystal structure of submicron-sized sulfur particles using 3D ED obtained in atmospheric conditions. Acta crystallographica. Section C, Structural chemistry, 2025, 81 |
| 2312754 | CIF HKL Paper | C46 H60 B2 Mg N4 O3 | P 1 21/c 1 | 12.567; 23.718; 15.746 90; 111.012; 90 | 4381.2 | Loroño-González, Marcos A; Loroño-González, Daniel J Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 131-139 |
| 2312755 | CIF HKL Paper | C28 H28 B K | P 1 21 1 | 10.0571; 9.6814; 11.689 90; 103.002; 90 | 1108.9 | Loroño-González, Marcos A; Loroño-González, Daniel J Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 131-139 |
| 2312757 | CIF Paper | Ca2 O7 Rb2 Si2 | P m m n :2 | 5.7363; 13.8532; 9.933 90; 90; 90 | 789.34 | Kahlenberg, Volker Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 146-155 |
| 2312758 | CIF Paper | Ca2 O7 Rb2 Si2 | P m m n :2 | 5.7281; 13.8361; 9.9233 90; 90; 90 | 786.47 | Kahlenberg, Volker Rb<sub>2</sub>Ca<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>: a new alkali alkaline-earth silicate based on [Si<sub>2</sub>O<sub>7</sub>]<sup>6-</sup> anions. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 146-155 |
| 2312759 | CIF HKL Paper | C8 H12 F6 O6 S2 | P 1 21/n 1 | 4.95674; 15.97566; 8.76933 90; 91.8347; 90 | 694.063 | Hoelm, Marta; Wzgarda-Raj, Kinga; Kinart, Zdzislaw; Kost, Bartlomiej; Brzezinski, Marek; Staniec, Paulina Synthesis, crystal structure elucidation, theoretical characterization and thermochemistry analysis of the potential anticancer drug BFS. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 156-164 |
| 2312760 | CIF HKL Paper | C21 H40 N2 O10 S2 | P 1 21 1 | 7.99791; 16.29632; 10.52351 90; 105.683; 90 | 1320.53 | Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 140-145 |
| 2312761 | CIF HKL Paper | C21 H37 F3 N2 O10 S2 | P 1 21 1 | 8.23545; 16.4434; 10.5833 90; 105.433; 90 | 1381.5 | Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 140-145 |
| 2312762 | CIF HKL Paper | C30 H43 N17 Ni O17 S3 | P 3 | 24.185; 24.185; 6.6341 90; 90; 120 | 3360.5 | Hribesh, Samira O.; Clegg, William; Harrington, Ross W.; Houlton, Andrew; Pike, Andrew R. Synthesis and crystal structure of a nickel(II) 2'-deoxy-6-thioguanosine nitrate complex. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 165-169 |
| 2312763 | CIF Paper | C10 H16 N2 O3 S | P 21 21 21 | 5.17; 10.11; 20.71 90; 90; 90 | 1082.5 | Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A. Fast event-based electron counting for small-molecule structure determination by MicroED. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 116-130 |
| 2312764 | CIF Paper | C36 H54 N2 O2 | P 21 21 21 | 7.16; 19.44; 29.78 90; 90; 90 | 4145.1 | Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A. Fast event-based electron counting for small-molecule structure determination by MicroED. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 116-130 |
| 2312774 | CIF Paper | C12 H10 O4 | P 1 21/c 1 | 7.9043; 15.7768; 8.7381 90; 108.115; 90 | 1035.67 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312775 | CIF Paper | C12 H10 O3 S | P 1 21/c 1 | 11.904; 7.1792; 13.6794 90; 111.708; 90 | 1086.15 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312776 | CIF Paper | C12 H10 O2 S2 | C 1 2/c 1 | 12.5314; 6.7175; 27.7746 90; 92.7398; 90 | 2335.38 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312777 | CIF Paper | C13 H12 O5 | P 1 21/n 1 | 6.8708; 10.6766; 15.7872 90; 100.253; 90 | 1139.6 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312778 | CIF Paper | C13 H12 O4 S | P 1 21/n 1 | 6.8534; 11.2183; 15.8581 90; 98.62; 90 | 1205.45 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312779 | CIF Paper | C13 H12 O3 S2 | P 21 21 21 | 6.9815; 11.7185; 15.9642 90; 90; 90 | 1306.07 | Mama, Neliswa; Schoeman, Stiaan; Myburgh, Lisa; Hosten, Eric C. Synthesis and characterization of coumarin-derived sulfur analogues using Lawesson's reagent. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 170-180 |
| 2312780 | CIF HKL Paper | C18 H10 Cl4.23 I1.77 N2 | P -1 | 4.0677; 10.9099; 12.3916 110.804; 92.66; 94.651 | 510.7 | Shapiro, Nicole M.; Govero, Mark D.; Bosch, Eric; Unruh, Daniel K.; Groeneman, Ryan H. Mixed cocrystal approach influences the yield for a [2+2] cycloaddition reaction within a halogen-bonded organic solid. Acta crystallographica. Section C, Structural chemistry, 2025, 81, 193-197 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!