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Information card for entry 4513071
Preview
| Coordinates | 4513071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Clotrimazole-Adipic acid |
|---|---|
| Chemical name | Clotrimazole-Adipic acid |
| Formula | C25 H22 Cl N2 O2 |
| Calculated formula | C25 H22 Cl N2 O2 |
| Title of publication | Soluble Salts and Cocrystals of Clotrimazole |
| Authors of publication | Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 5 |
| Pages of publication | 2493 |
| a | 8.73 ± 0.0009 Å |
| b | 9.6543 ± 0.0009 Å |
| c | 13.2542 ± 0.0013 Å |
| α | 74.48 ± 0.009° |
| β | 84.281 ± 0.008° |
| γ | 85.466 ± 0.008° |
| Cell volume | 1069.4 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.199 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.776 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513071.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4513071.cif |
| 137787 | 2015-06-04 | cif/ Adding structures of 4513071 via cif-deposit CGI script. |
4513071.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.