Information card for entry 2204186

Structure parameters

• Chemical name: N-(p-Methoxybenzoyl)-N'-(o-methoxyphenyl)thiourea
• Formula: C16 H16 N2 O3 S
• Calculated formula: C16 H16 N2 O3 S
• SMILES: S=C(NC(=O)c1ccc(OC)cc1)Nc1c(OC)cccc1
• Title of publication: <i>N</i>-(<i>p</i>-Methoxybenzoyl)-<i>N</i>'-(<i>o</i>-methoxyphenyl)thiourea
• Authors of publication: Ali, Hapipah; Halim, S. Nadiah A.; Khamis, Nur Ashikin; Yusof, M. Sukeri; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1497 - o1498
• a: 7.832 ± 0.001 Å
• b: 9.151 ± 0.002 Å
• c: 12.201 ± 0.003 Å
• α: 92.68 ± 0.04°
• β: 104.56 ± 0.04°
• γ: 113.45 ± 0.03°
• Cell volume: 765.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.042
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No