Information card for entry 8105931

Structure parameters

• Formula: C23 H22 N2 O4
• Calculated formula: C23 H22 N2 O4
• SMILES: o1c(=O)ccc2ccc(OC)c(c12)C/C=C(/C=N/NC(=O)c1cc(ccc1)C)C
• Title of publication: The crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-3-methylbenzohydrazide, C23H22N2O4
• Authors of publication: Yu, Xiang; Zhao, You-Fang; Qin, Yan; Yan, Jing; Chen, Ya-Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1039 - 1041
• a: 17.7478 ± 0.0004 Å
• b: 10.0041 ± 0.0002 Å
• c: 24.4749 ± 0.0006 Å
• α: 90°
• β: 111.111 ± 0.002°
• γ: 90°
• Cell volume: 4053.88 ± 0.17 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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: 0.0959
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No