Information card for entry 2001052

Structure parameters

• Formula: C17 H13 N3 O S
• Calculated formula: C17 H13 N3 O S
• SMILES: O=C(c1cn(N)c(=S)nc1c1ccccc1)c1ccccc1
• Title of publication: Structure of 1-amino-5-benzoyl-4-phenyl-1<i>H</i>-pyrimidine-2-thione
• Authors of publication: Akkurt, M.; Güldeste, A.; Soylu, H.; Altural, B.; Saripinar, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 315 - 317
• a: 9.712 ± 0.003 Å
• b: 15.072 ± 0.003 Å
• c: 10.713 ± 0.003 Å
• α: 90°
• β: 107.65 ± 0.03°
• γ: 90°
• Cell volume: 1494.3 ± 0.7 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No