Information card for entry 7200801

Structure parameters

• Formula: C18 H13 N O
• Calculated formula: C18 H13 N O
• SMILES: OC1(c2ccccc2c2ccccc12)c1ccncc1
• Title of publication: Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes
• Authors of publication: Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1331
• a: 12.9969 ± 0.0003 Å
• b: 7.6546 ± 0.0002 Å
• c: 13.4691 ± 0.0004 Å
• α: 90°
• β: 99.859 ± 0.002°
• γ: 90°
• Cell volume: 1320.2 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No