Information card for entry 2100787

Structure parameters

• Formula: C11 H12 N4 O2 S
• Calculated formula: C11 H12 N4 O2 S
• SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C
• Title of publication: Positive indentification of two orthorhombic polymorphs of sulfamerazine (C~11~H~12~N~4~O~2~S), their thermal analyses and structural comparison
• Authors of publication: Caria, M. R.; Mohamed, R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 492 - 498
• a: 14.474 ± 0.002 Å
• b: 21.953 ± 0.002 Å
• c: 8.203 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606.5 ± 0.5 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P n 21 a
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No