Information card for entry 2300205

Structure parameters

• Chemical name: 6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide
• Formula: C7 H6 Cl N3 O4 S2
• Calculated formula: C7 H6 Cl N3 O4 S2
• SMILES: Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N
• Title of publication: A differential thermal expansion approach to crystal structure determination from powder diffraction data
• Authors of publication: Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1089 - 1094
• a: 4.8619 ± 0.0017 Å
• b: 6.377 ± 0.002 Å
• c: 8.926 ± 0.003 Å
• α: 74.4 ± 0.03°
• β: 83.93 ± 0.03°
• γ: 80.56 ± 0.03°
• Cell volume: 262.39 ± 0.16 ų
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No