Information card for entry 2000462

Structure parameters

• Formula: C12 H17 N4 Na O4 S
• Calculated formula: C12 H17 N4 Na O4 S
• SMILES: S(=O)([O-])(c1ccc(cc1)N)=Nc1nc(C)cc(C)n1.[Na+].O.O
• Title of publication: Structure of monosodium <i>N</i>^1^-(4,6-dimethyl-2-pyrimidyl)sulfanilamidate dihydrate
• Authors of publication: Hannan, S. S.; Talukdar, A. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2021 - 2023
• a: 11.57 ± 0.003 Å
• b: 12.725 ± 0.003 Å
• c: 5.79 ± 0.004 Å
• α: 101.28 ± 0.03°
• β: 102.35 ± 0.04°
• γ: 70.01 ± 0.03°
• Cell volume: 775.6 ± 0.6 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No