Information card for entry 2211342

Structure parameters

• Common name: N-(2-Methoxyphenyl)thiourea
• Chemical name: N-(2-Methoxyphenyl)thiourea
• Formula: C8 H10 N2 O S
• Calculated formula: C8 H10 N2 O S
• SMILES: S=C(Nc1c(OC)cccc1)N
• Title of publication: <i>N</i>-(2-Methoxyphenyl)thiourea
• Authors of publication: Mohd Mustaqim Rosli; Mari Sithambaram Karthikeyan; Hoong-Kun Fun; Ibrahim Abdul Razak; P. S. Patil; Bantwal Shivarama Holla; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5692 - o5693
• a: 7.3389 ± 0.0001 Å
• b: 13.6979 ± 0.0002 Å
• c: 10.5491 ± 0.0001 Å
• α: 90°
• β: 126.747 ± 0.001°
• γ: 90°
• Cell volume: 849.74 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes