Information card for entry 2210750

Structure parameters

• Chemical name: N-(4-Methoxyphenyl)thiourea
• Formula: C8 H10 N2 O S
• Calculated formula: C8 H10 N2 O S
• SMILES: S=C(Nc1ccc(OC)cc1)N
• Title of publication: <i>N</i>-(4-Methoxyphenyl)thiourea
• Authors of publication: Jeannie Bee-Jan Teh; Mari Sithambaram Karthikeyan; Hoong-Kun Fun; P. S. Patil; Ibrahim Abdul Razak; Bantwal Shivarama Holla; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4693 - o4694
• a: 6.7328 ± 0.0002 Å
• b: 8.3813 ± 0.0002 Å
• c: 9.0571 ± 0.0002 Å
• α: 63.779 ± 0.001°
• β: 72.413 ± 0.001°
• γ: 83.428 ± 0.001°
• Cell volume: 436.96 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes