Information card for entry 2007183

Structure parameters

• Chemical name: 1-[2-(napthalenyl)]-3-(3-nitrophenyl)-2-propen-1-one
• Formula: C19 H13 N O3
• Calculated formula: C19 H13 N O3
• SMILES: c1c(ccc2ccccc12)C(=O)C=Cc1cc(ccc1)N(=O)=O
• Title of publication: 1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one
• Authors of publication: Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 541 - 542
• a: 10.317 ± 0.002 Å
• b: 5.864 ± 0.004 Å
• c: 24.582 ± 0.001 Å
• α: 90°
• β: 100.15 ± 0.02°
• γ: 90°
• Cell volume: 1463.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 0.925
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No