Information card for entry 2210583

Structure parameters

• Chemical name: (E,E)-4-(Dimethylamino)benzaldehyde O-[3-(3-nitrophenyl)propenoyl]oxime
• Formula: C18 H17 N3 O4
• Calculated formula: C18 H17 N3 O4
• SMILES: N(=O)(=O)c1cc(/C=C/C(=O)O/N=C/c2ccc(N(C)C)cc2)ccc1
• Title of publication: (<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-[3-(3-nitrophenyl)propenoyl]oxime
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4587 - o4589
• a: 18.031 ± 0.012 Å
• b: 7.332 ± 0.005 Å
• c: 12.714 ± 0.009 Å
• α: 90°
• β: 99.338 ± 0.011°
• γ: 90°
• Cell volume: 1659 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.178
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes