Information card for entry 2200058

Structure parameters

• Chemical name: 4-methylthio-N-(2-chlorophenyl)triazine-2-amine
• Formula: C10 H9 Cl N4 S
• Calculated formula: C10 H9 Cl N4 S
• SMILES: CSc1ncnc(n1)Nc1ccccc1Cl
• Title of publication: 2-(2-Chlorophenylamino)-4-methylsulfanyl-1,3,5-triazine
• Authors of publication: Chen, Wei-Qiang; Weng, Lin-Hong; Jin, Gui-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o91 - o93
• a: 7.492 ± 0.002 Å
• b: 7.797 ± 0.002 Å
• c: 19.877 ± 0.005 Å
• α: 90°
• β: 94.962 ± 0.005°
• γ: 90°
• Cell volume: 1156.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes