Information card for entry 8100485

Structure parameters

• Formula: C8 H10 N2 O6 S2
• Calculated formula: C8 H10 N2 O6 S2
• SMILES: S(=O)(=O)(O)c1cc(C(=O)O)c(O)cc1.S=C(N)N
• Title of publication: Crystal structure of the adduct of sulfosalicylic acid and thiourea, C~7~H~6~O~6~S · CH~4~N~2~S
• Authors of publication: Jing, Xiong; Mao-Lin, Hu; Qian, Shi; Hong-Ping, Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 565 - 566
• a: 7.6806 ± 0.0005 Å
• b: 12.8546 ± 0.0008 Å
• c: 12.2389 ± 0.0007 Å
• α: 90°
• β: 97.071 ± 0.002°
• γ: 90°
• Cell volume: 1199.17 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No