Information card for entry 7105247

Structure parameters

• Common name: 2a
• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• SMILES: c1(cc(C(=O)N(C)C)ccc1)NC(=O)C
• Title of publication: A hydrogen bonding motif for forming extended assemblies.
• Authors of publication: Zhang, Jiahui; Wu, Xiangxiang; Yamato, Kazuhiro; Liu, Futao; Su, Tianyi; Zheng, Chong; He, Lan; Gong, Bing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1062 - 1064
• a: 6.545 ± 0.005 Å
• b: 9.091 ± 0.005 Å
• c: 9.249 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.382 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 546.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1666
• 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: No