Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238526
Preview
| Coordinates | 7238526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cytosinium-2,5-dihydroxybenzoate |
|---|---|
| Formula | C11 H11 N3 O5 |
| Calculated formula | C11 H11 N3 O5 |
| Title of publication | Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes |
| Authors of publication | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 7065 |
| a | 10.1137 ± 0.0008 Å |
| b | 8.512 ± 0.0007 Å |
| c | 13.9992 ± 0.0012 Å |
| α | 90° |
| β | 110.61 ± 0.001° |
| γ | 90° |
| Cell volume | 1128.03 ± 0.16 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244202 (current) | 2019-11-28 | cif/ Adding structures of 7238526, 7238527, 7238528, 7238529 via cif-deposit CGI script. |
7238526.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.