Information card for entry 2004923

Structure parameters

• Formula: C13 H11 N O3 S
• Calculated formula: C13 H11 N O3 S
• Title of publication: 4-Methoxyphenyl 2-Nitrophenyl Sulfide
• Authors of publication: Howie, R. A.; Wardell, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1228 - 1230
• a: 9.16 ± 0.006 Å
• b: 7.819 ± 0.005 Å
• c: 9.57 ± 0.004 Å
• α: 80.49 ± 0.05°
• β: 113.72 ± 0.04°
• γ: 98.97 ± 0.05°
• Cell volume: 615.9 ± 0.7 ų
• Cell temperature: 298 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 significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No