Information card for entry 7204197

Structure parameters

• Chemical name: N,N-dimetyl-benzamide
• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• SMILES: O=C(N(C)C)c1ccccc1
• Title of publication: The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles
• Authors of publication: Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 404
• a: 6.6312 ± 0.0005 Å
• b: 7.6519 ± 0.0006 Å
• c: 16.3025 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 827.21 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No