Information card for entry 2005740

Structure parameters

• Chemical name: 1,3-diphenyl-4-imidazoline-2-thione
• Formula: C15 H12 N2 S
• Calculated formula: C15 H12 N2 S
• SMILES: S=C1N(C=CN1c1ccccc1)c1ccccc1
• Title of publication: 1,3-Diphenyl-4-imidazoline-2-thione
• Authors of publication: Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3152 - 3154
• a: 12.454 ± 0.007 Å
• b: 11.382 ± 0.008 Å
• c: 17.841 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for all reflections: 0.82
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No