Information card for entry 7206402

Structure parameters

• Common name: Propylthiouracil
• Chemical name: 6-propyl-2-thiouracil
• Formula: C7 H10 N2 O S
• Calculated formula: C7 H10 N2 O S
• Title of publication: Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction
• Authors of publication: Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5474
• a: 28.67338 ± 0.00023 Å
• b: 11.152871 ± 0.000061 Å
• c: 10.668212 ± 0.000055 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3411.59 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• RFsqd: 0.01572
• Residual factor R(I) for significantly intense reflections: 0.0157
• Goodness-of-fit parameter for all reflections: 1.6
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.23982 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No