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Information card for entry 2223584
Preview
Coordinates | 2223584.cif |
---|---|
Structure factors | 2223584.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-1-Ethyl-<i>N</i>'-[(pyrid-4'-yl)methylene]-1,4-dihydro-4-oxoquinoline-3-carbohydrazide |
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Formula | C18 H16 N4 O2 |
Calculated formula | C18 H16 N4 O2 |
SMILES | CCn1cc(C(=O)N/N=C/c2ccncc2)c(=O)c2c1cccc2 |
Title of publication | (<i>E</i>)-1-Ethyl-4-oxo-<i>N</i>'-(4-pyridylmethylene)-1,4-dihydroquinoline-3-carbohydrazide |
Authors of publication | Santos, Fernanda da C.; Batalha, Pedro Netto; Cunha, Anna Claudia; Alão, Rafael A.; Ferreira, Vitor Francisco; Souza, Maria Cecilia B. V. de; Santos, Jr, Sauli |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 10 |
Pages of publication | o2476 - o2477 |
a | 7.646 ± 0.0012 Å |
b | 19.205 ± 0.002 Å |
c | 10.705 ± 0.0009 Å |
α | 90° |
β | 99.722 ± 0.01° |
γ | 90° |
Cell volume | 1549.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.059 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2223584.html
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Users of the data should acknowledge the original authors of the
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