Information card for entry 2209927

Structure parameters

• Chemical name: Naphthalene-2,7-diol‒imidazole (1/1)
• Formula: C13 H12 N2 O2
• Calculated formula: C13 H12 N2 O2
• SMILES: c1c(ccc2ccc(cc12)O)O.c1[nH]ccn1
• Title of publication: Naphthalene-2,7-diol‒imidazole (1/1)
• Authors of publication: Yong-Tao Wang; Gui-Mei Tang; Wen-Zhu Wan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3396 - o3397
• a: 14.2 ± 0.003 Å
• b: 7.2927 ± 0.0018 Å
• c: 22.375 ± 0.005 Å
• α: 90°
• β: 101.921 ± 0.004°
• γ: 90°
• Cell volume: 2267.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes