Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8103097
Preview
Coordinates | 8103097.cif |
---|
Formula | C13 H12 N4 |
---|---|
Calculated formula | C13 H12 N4 |
Title of publication | Crystal structure of 1-(4,6-dimethylpyrimidin-2-yl)benzimidazole, C13H12N4 |
Authors of publication | Hong-Mei Li; Chen Xu; Hu Liu; Zhi-Qiang Zhang; Jing-Cai Yao; Yu-Qing Zhang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2011 |
Journal volume | 226 |
Journal issue | 1 |
Pages of publication | 89 |
a | 8.6824 ± 0.0014 Å |
b | 17.542 ± 0.003 Å |
c | 7.571 ± 0.0012 Å |
α | 90° |
β | 90.649 ± 0.002° |
γ | 90° |
Cell volume | 1153 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0784 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103097.cif |
176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103097.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103097.cif |
29022 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103097 via cif-deposit CGI script. |
8103097.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.