Information card for entry 2217104

Structure parameters

• Chemical name: -(4-Methylphenyldiazoniumyl)-2-naphtholate
• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: c1(ccc(cc1)C)N/N=C/1C(=O)C=Cc2ccccc12
• Title of publication: 1-(4-Methylphenyldiazoniumyl)-2-naphtholate
• Authors of publication: Jin, Chuan-Ming; Li, Hao; Zhong, Zhen-Xing; Wu, Ling-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o218 - o218
• a: 13.674 ± 0.0004 Å
• b: 13.8 ± 0.0004 Å
• c: 7.143 ± 0.0002 Å
• α: 90°
• β: 95.752 ± 0.002°
• γ: 90°
• Cell volume: 1341.11 ± 0.07 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: 0.0903
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes