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Information card for entry 7243474
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Coordinates | 7243474.cif |
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Original paper (by DOI) | HTML |
Common name | Clotrimazole 2,3-dihydroxybenzoate |
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Chemical name | 1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate |
Formula | C29 H23 Cl N2 O4 |
Calculated formula | C29 H23 Cl N2 O4 |
Title of publication | Multicomponent crystals of clotrimazole: a combined theoretical and experimental study |
Authors of publication | Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 39 |
Pages of publication | 6977 - 6993 |
a | 21.0772 ± 0.0007 Å |
b | 8.2738 ± 0.0003 Å |
c | 13.8978 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2423.62 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0649 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243474.html
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Users of the data should acknowledge the original authors of the
structural data.