Information card for entry 2215936

Structure parameters

• Chemical name: Methyl 2-{[(E)-8-oxo-5,8-dihydroquinolin-5-ylidene]hydrazino}benzoate
• Formula: C17 H13 N3 O3
• Calculated formula: C17 H13 N3 O3
• SMILES: O=C1C=CC(=N\Nc2c(cccc2)C(=O)OC)/c2cccnc12
• Title of publication: Methyl 2-{[(<i>E</i>)-8-oxo-5,8-dihydroquinolin-5-ylidene]hydrazino}benzoate
• Authors of publication: Basu Baul, Tushar S.; Mizar, Archana; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4256 - o4256
• a: 26.695 ± 0.003 Å
• b: 8.2513 ± 0.0009 Å
• c: 13.5873 ± 0.0016 Å
• α: 90°
• β: 116.589 ± 0.005°
• γ: 90°
• Cell volume: 2676.3 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes