Information card for entry 1558922

Structure parameters

• Common name: 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine
• Formula: C13 H17 N3 S
• Calculated formula: C13 H17 N3 S
• SMILES: S1C(C(=NN=C1NC(C)C)c1ccccc1)C
• Title of publication: The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
• Authors of publication: Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 302 - 306
• a: 15.019 ± 0.003 Å
• b: 9.918 ± 0.003 Å
• c: 9.341 ± 0.002 Å
• α: 90°
• β: 109.85 ± 0.03°
• γ: 90°
• Cell volume: 1308.7 ± 0.6 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No