Information card for entry 2011364

Structure parameters

• Formula: C16 H10 N2 O4
• Calculated formula: C16 H10 N2 O4
• SMILES: O1C(=O)c2ccccc2N=C1/C=C/c1ccc(N(=O)=O)cc1
• Title of publication: 2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one
• Authors of publication: Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e408 - e409
• a: 14.627 ± 0.003 Å
• b: 7.491 ± 0.002 Å
• c: 12.344 ± 0.005 Å
• α: 90°
• β: 98.71 ± 0.03°
• γ: 90°
• Cell volume: 1336.9 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.289
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.545
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes