Information card for entry 8105344

Structure parameters

• Formula: C19 H16 N2 O S
• Calculated formula: C19 H16 N2 O S
• Title of publication: Dimerization of 2-[(2-((2-aminophenyl)thio)phenyl)amino]-cyclohepta-2,4,6-trien-1-one through hydrogen bonding, C19H16N2OS
• Authors of publication: Hanft, Anna; Lichtenberg, Crispin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 963 - 966
• a: 8.151 ± 0.0003 Å
• b: 8.8021 ± 0.0003 Å
• c: 11.3953 ± 0.0005 Å
• α: 72.546 ± 0.002°
• β: 84.568 ± 0.002°
• γ: 80.76 ± 0.002°
• Cell volume: 768.86 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No