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Information card for entry 2102829
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Coordinates | 2102829.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N-(2-bromobenzylidene)-2-methylaniline |
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Formula | C14 H12 Br N |
Calculated formula | C14 H12 Br N |
SMILES | Cc1ccccc1/N=C/c1ccccc1Br |
Title of publication | Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones |
Authors of publication | Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 3 |
Pages of publication | 485 - 496 |
a | 13.4669 ± 0.001 Å |
b | 11.7471 ± 0.0009 Å |
c | 14.9271 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2361.4 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0345 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2102829.html
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