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Information card for entry 7232846
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Coordinates | 7232846.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CmpBr |
---|---|
Chemical name | 4-Bromobenzene-N-3-pyridylcarbamate |
Formula | C12 H9 Br N2 O2 |
Calculated formula | C12 H9 Br N2 O2 |
Title of publication | Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1? |
Authors of publication | Mocilac, Pavle; Gallagher, John F. |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 27 |
Pages of publication | 4048 |
a | 13.2502 ± 0.0003 Å |
b | 3.8621 ± 0.0001 Å |
c | 22.9979 ± 0.0008 Å |
α | 90° |
β | 94.861 ± 0.002° |
γ | 90° |
Cell volume | 1172.65 ± 0.06 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 1 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7232846.html
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