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Information card for entry 2021305
Preview
Coordinates | 2021305.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (E)-(1-(biphenyl-4-yl)ethylidene)hydrazine |
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Chemical name | (E)-(1-(biphenyl-4-yl)ethylidene)hydrazine |
Formula | C14 H14 N2 |
Calculated formula | C14 H14 N2 |
SMILES | c1ccccc1c1ccc(cc1)C(=N\N)\C |
Title of publication | Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study |
Authors of publication | Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 11 |
a | 24.764 ± 0.003 Å |
b | 5.5162 ± 0.0007 Å |
c | 8.1487 ± 0.0011 Å |
α | 90° |
β | 95.705 ± 0.012° |
γ | 90° |
Cell volume | 1107.6 ± 0.2 Å3 |
Cell temperature | 283 ± 2 K |
Ambient diffraction temperature | 283 ± 2 K |
Number of distinct elements | 3 |
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 | 0.206 |
Residual factor for significantly intense reflections | 0.0948 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.1561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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