Information card for entry 7216014

Structure parameters

• Chemical name: 4-amino-2-methyl-4'-hydroxydiphenyl
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• SMILES: Oc1ccc(cc1)c1ccc(cc1C)N
• Title of publication: Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules
• Authors of publication: Dey, Archan; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 477
• a: 11.1587 ± 0.0002 Å
• b: 9.5748 ± 0.0002 Å
• c: 19.9175 ± 0.0004 Å
• α: 90°
• β: 96.332 ± 0.001°
• γ: 90°
• Cell volume: 2115.05 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7203433
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No