Information card for entry 2203697

Structure parameters

• Chemical name: [1-methyl-3-(2-phenylethyl)benzimidazolinio](phenylimino)methanethiolate
• Formula: C23 H21 N3 S
• Calculated formula: C23 H21 N3 S
• Title of publication: Mercapto-<i>N</i>-phenylformimidoyl-1-methyl-3-(2-phenylethyl)benzimidazolinium inner salt
• Authors of publication: Sema Öztürk; Mehmet Akkurt; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o936 - o938
• a: 9.3894 ± 0.0008 Å
• b: 10.8881 ± 0.0011 Å
• c: 11.6658 ± 0.0012 Å
• α: 67.191 ± 0.007°
• β: 83.696 ± 0.008°
• γ: 67.04 ± 0.007°
• Cell volume: 1011.07 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No