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Information card for entry 2102831
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Coordinates | 2102831.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N-(4-methylbenzylidene)-4-cyanoaniline |
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Formula | C15 H12 N2 |
Calculated formula | C15 H12 N2 |
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 | 6.1535 ± 0.0009 Å |
b | 7.199 ± 0.001 Å |
c | 26.253 ± 0.004 Å |
α | 90° |
β | 92.285 ± 0.002° |
γ | 90° |
Cell volume | 1162.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/2102831.html
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