Information card for entry 2235441

Structure parameters

• Chemical name: 2-Cyano-<i>N</i>'-[(<i>E</i>)-1-(2-oxo-2<i>H</i>-chromen- 3-yl)ethylidene]acetohydrazide
• Formula: C14 H11 N3 O3
• Calculated formula: C14 H11 N3 O3
• SMILES: o1c(=O)c(cc2c1cccc2)/C(=N/NC(=O)CC#N)C
• Title of publication: 2-Cyano-<i>N</i>'-[(<i>E</i>)-1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]acetohydrazide
• Authors of publication: Yusufzai, Samina Khan; Osman, Hasnah; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2005
• a: 10.4755 ± 0.0002 Å
• b: 15.8283 ± 0.0003 Å
• c: 8.265 ± 0.0002 Å
• α: 90°
• β: 106.982 ± 0.002°
• γ: 90°
• Cell volume: 1310.66 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0953
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes