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Information card for entry 2311555
Preview
| Coordinates | 2311555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl 2-[5-(2-hydroxyphenyl)-2<i>H</i>-tetrazol-2-yl]acetate |
|---|---|
| Formula | C10 H10 N4 O3 |
| Calculated formula | C10 H10 N4 O3 |
| Title of publication | Crystal structure of methyl 2-[5-(2-hy-droxy-phen-yl)-2<i>H</i>-tetra-zol-2-yl]acetate. |
| Authors of publication | Lee, Seul Gi; Ryu, Ji Yeon; Lee, Junseong |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1971 - 1973 |
| a | 10.06 ± 0.002 Å |
| b | 8.2538 ± 0.0017 Å |
| c | 13.536 ± 0.003 Å |
| α | 90° |
| β | 104.479 ± 0.01° |
| γ | 90° |
| Cell volume | 1088.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1242 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245978 (current) | 2019-12-25 | cif/ Adding structures of 2311555 via cif-deposit CGI script. |
2311555.cif |
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