Information card for entry 4505392

Structure parameters

• Chemical name: 6-amino-2-(4-chlorophenylsulfonylimino)-1,2-dihydropyridine
• Formula: C11 H10 Cl N3 O2 S
• Calculated formula: C11 H10 Cl N3 O2 S
• SMILES: S(=O)(=O)(N=c1[nH]c(ccc1)N)c1ccc(Cl)cc1
• Title of publication: Structural Variations and Polymorphism of Some Derivatives of 6-Amino-2-phenylsulfonylimino- 1,2-dihydropyridine
• Authors of publication: Kirchner, Michael T.; Reddy, L. Sreenivas; Desiraju, Gautam R.; Jetti, Ram K. R.; Boese, Roland
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 701
• a: 13.725 ± 0.006 Å
• b: 7.312 ± 0.003 Å
• c: 25.419 ± 0.011 Å
• α: 90°
• β: 92.886 ± 0.008°
• γ: 90°
• Cell volume: 2547.7 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No