Information card for entry 2210864

Structure parameters

• Chemical name: (E,E)-4-(Dimethylamino)benzaldehyde O-[3-(3-chlorophenyl)propenoyl]oxime
• Formula: C18 H17 Cl N2 O2
• Calculated formula: C18 H17 Cl N2 O2
• SMILES: Clc1cc(/C=C\C(=O)ON=Cc2ccc(N(C)C)cc2)ccc1
• Title of publication: (<i>E</i>,<i>E</i>)-4-(Dimethylamino)benzaldehyde <i>O</i>-[3-(3-chlorophenyl)propenoyl]oxime
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Ding, Tie-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5199 - o5201
• a: 8.161 ± 0.003 Å
• b: 9.792 ± 0.003 Å
• c: 11.228 ± 0.004 Å
• α: 108.706 ± 0.005°
• β: 104.242 ± 0.005°
• γ: 94.628 ± 0.005°
• Cell volume: 811.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes