Information card for entry 2220931

Structure parameters

• Chemical name: 4-Hydrazino-2-(methylsulfanyl)pyrimidine
• Formula: C5 H8 N4 S
• Calculated formula: C5 H8 N4 S
• SMILES: S(c1nc(NN)ccn1)C
• Title of publication: 4-Hydrazino-2-(methylsulfanyl)pyrimidine
• Authors of publication: Fun, Hoong-Kun; Razak, Ibrahim Abdul; Adhikari, Adithya; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o422
• a: 12.7906 ± 0.0002 Å
• b: 7.7731 ± 0.0001 Å
• c: 14.4354 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.21 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes