Information card for entry 7104491

Structure parameters

• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: C(=O)(c1ccccc1Nc1ccccc1)O
• Title of publication: Hydrogen-bonded dimer stacking induced emission of aminobenzoic acid compounds.
• Authors of publication: Zhou, Tianlei; Li, Feng; Fan, Yan; Song, Weifeng; Mu, Xiaoyue; Zhang, Hongyu; Wang, Yue
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3199 - 3201
• a: 8.08 ± 0.0016 Å
• b: 9.812 ± 0.002 Å
• c: 14.043 ± 0.003 Å
• α: 85.96 ± 0.03°
• β: 88.64 ± 0.03°
• γ: 73.45 ± 0.03°
• Cell volume: 1064.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No