Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240548
Preview
Coordinates | 7240548.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | meta-bromo-benzimidazole |
---|---|
Chemical name | 2-(3-bromophenyl)-1H-benzo[d]imidazole |
Formula | C13 H9 Br N2 |
Calculated formula | C13 H9 Br N2 |
Title of publication | Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles |
Authors of publication | Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 12.6755 ± 0.0016 Å |
b | 9.6559 ± 0.0018 Å |
c | 9.7645 ± 0.0015 Å |
α | 90° |
β | 111.638 ± 0.009° |
γ | 90° |
Cell volume | 1110.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1142 |
Residual factor for significantly intense reflections | 0.0832 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1543 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240548.html
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.