Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1545838
Preview
| Coordinates | 1545838.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | ACETAZOLAMIDE; VALEROLACTAM |
|---|---|
| Formula | C14 H24 N6 O5 S2 |
| Calculated formula | C14 H24 N6 O5 S2 |
| SMILES | s1c(NC(=O)C)nnc1S(=O)(=O)N.O=C1NCCCC1.O=C1NCCCC1 |
| 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 | 9.66166 ± 0.00019 Å |
| b | 23.4685 ± 0.0004 Å |
| c | 8.84352 ± 0.00017 Å |
| α | 90° |
| β | 100.773 ± 0.0019° |
| γ | 90° |
| Cell volume | 1969.88 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545838.cif |
| 195746 | 2017-04-25 | cif/ Adding structures of 1545830, 1545831, 1545832, 1545833, 1545834, 1545835, 1545836, 1545837, 1545838 via cif-deposit CGI script. |
1545838.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.