Information card for entry 4505388

Structure parameters

• Chemical name: 6-amino-2-(2-chlorophenylsulfonylimino)-1,2-dihydropyridine
• Formula: C11 H10 Cl N3 O2 S
• Calculated formula: C11 H10 Cl N3 O2 S
• SMILES: Clc1c(S(=O)(=O)N=c2[nH]c(ccc2)N)cccc1
• 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: 9.232 ± 0.006 Å
• b: 8.9 ± 0.006 Å
• c: 15.102 ± 0.009 Å
• α: 90°
• β: 96.081 ± 0.011°
• γ: 90°
• Cell volume: 1233.9 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No