Information card for entry 2010833

Structure parameters

• Chemical name: 1-(3-methoxybenzoyl)-3,3-diethylthiourea
• Formula: C13 H18 N2 O2 S
• Calculated formula: C13 H15 N2 O2 S
• Title of publication: 1-(3-Methoxybenzoyl)-3,3-diethylthiourea
• Authors of publication: Dago Morales, Angel; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Pomés Hernández, Ramón
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 503 - 504
• a: 7.754 ± 0.004 Å
• b: 8.949 ± 0.008 Å
• c: 11.251 ± 0.007 Å
• α: 78.48 ± 0.06°
• β: 70.26 ± 0.04°
• γ: 70.06 ± 0.06°
• Cell volume: 687.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0866
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes