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Information card for entry 4502926
Preview
Coordinates | 4502926.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-bromo-2-[(aminopropyl)methyl]-phenol |
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Formula | C10 H14 Br N O |
Calculated formula | C10 H14 Br N O |
SMILES | Brc1cc(c([O-])cc1)C[NH2+]CCC |
Title of publication | Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases |
Authors of publication | Kołodziejczak, Jerzy; Adamczyk-Woźniak, Agnieszka; Hachuła, Barbara; Barys, Maciej; Flakus, Henryk T.; Sporzyński, Andrzej; Koll, Aleksander |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 589 |
a | 10.9354 ± 0.0002 Å |
b | 5.6281 ± 0.0001 Å |
c | 16.6297 ± 0.0003 Å |
α | 90° |
β | 102.973 ± 0.002° |
γ | 90° |
Cell volume | 997.36 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0276 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.0423 |
Weighted residual factors for all reflections included in the refinement | 0.0458 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4502926.html
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