Information card for entry 2101218

Structure parameters

• Formula: C6 H6 N2 O2 S
• Calculated formula: C6 H6 N2 O2 S
• SMILES: O/N=C/C(=N\O)c1cccs1
• Title of publication: X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group
• Authors of publication: Chertanova, L.; Pascard, C.; Sheremetev, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 708 - 716
• a: 12.189 ± 0.003 Å
• b: 3.865 ± 0.003 Å
• c: 16.022 ± 0.005 Å
• α: 90°
• β: 90.79 ± 0.02°
• γ: 90°
• Cell volume: 754.7 ± 0.7 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No