Information card for entry 2231351

Structure parameters

• Chemical name: 2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one
• Formula: C18 H17 N O
• Calculated formula: C18 H17 N O
• SMILES: O=C1C(=C\c2ccc(N(C)C)cc2)\Cc2ccccc12
• Title of publication: 2-[(<i>E</i>)-4-(Dimethylamino)benzylidene]indan-1-one
• Authors of publication: Ali, Mohamed Ashraf; Ismail, Rusli; Choon, Tan Soo; Loh, Wan-Sin; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1983 - o1984
• a: 30.024 ± 0.005 Å
• b: 5.9898 ± 0.0009 Å
• c: 7.6862 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1382.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes