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Information card for entry 1545835
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| Coordinates | 1545835.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | ACETAZOLAMIDE;NICOTINAMIDE |
|---|---|
| Formula | C10 H12 N6 O4 S2 |
| Calculated formula | C10 H12 N6 O4 S2 |
| SMILES | S(=O)(=O)(N)c1sc(nn1)NC(=O)C.O=C(N)c1cnccc1 |
| Title of publication | Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides |
| Authors of publication | Bolla, Geetha; Nangia, Ashwini |
| Journal of publication | IUCrJ |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 152 - 160 |
| a | 5.1477 ± 0.0008 Å |
| b | 10.8147 ± 0.0014 Å |
| c | 14.2604 ± 0.0016 Å |
| α | 69.797 ± 0.011° |
| β | 85.463 ± 0.012° |
| γ | 81.889 ± 0.012° |
| Cell volume | 737.2 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0819 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1722 |
| Weighted residual factors for all reflections included in the refinement | 0.1935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195746 (current) | 2017-04-25 | cif/ Adding structures of 1545830, 1545831, 1545832, 1545833, 1545834, 1545835, 1545836, 1545837, 1545838 via cif-deposit CGI script. |
1545835.cif |
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Users of the data should acknowledge the original authors of the
structural data.