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Information card for entry 2311813
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Coordinates | 2311813.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1-Benzoyl-2-(propan-2-ylidene)hydrazone |
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Formula | C10 H12 N2 O |
Calculated formula | C10 H12 N2 O |
SMILES | O=C(NN=C(C)C)c1ccccc1 |
Title of publication | Structural similarities among eight benzoylhydrazones. |
Authors of publication | Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 9 |
Pages of publication | 912 - 919 |
a | 7.695 ± 0.0008 Å |
b | 17.129 ± 0.001 Å |
c | 7.8316 ± 0.0008 Å |
α | 90° |
β | 115.525 ± 0.008° |
γ | 90° |
Cell volume | 931.51 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0473 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
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/2311813.html
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