Information card for entry 8102478

Structure parameters

• Chemical name: 3-(furan-2-yl)-5-(naphthalen-6-yl)-1H-pyrazole, C~17~H~12~N~2~O
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• Title of publication: Crystal structure of 3-(furan-2-yl)-5-(naphthalen-6-yl)-1H-pyrazole, C17H12N2O
• Authors of publication: Chun-Yang Zheng; Ting-Quan Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 457
• a: 14.484 ± 0.0017 Å
• b: 5.8533 ± 0.0007 Å
• c: 15.3242 ± 0.0017 Å
• α: 90°
• β: 97.271 ± 0.002°
• γ: 90°
• Cell volume: 1288.7 ± 0.3 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: 0.0864
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No