Information card for entry 2227222

Structure parameters

• Chemical name: 2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
• Formula: C6 H7 N3 O S
• Calculated formula: C6 H7 N3 O S
• SMILES: S=c1[nH]cccc1C(=O)NN
• Title of publication: 2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
• Authors of publication: Mansor, Shahirah; Yehye, Wagee A.; Ariffin, Azhar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2516
• a: 7.1952 ± 0.0002 Å
• b: 7.4279 ± 0.0002 Å
• c: 7.7492 ± 0.0002 Å
• α: 88.205 ± 0.002°
• β: 64.201 ± 0.002°
• γ: 72.072 ± 0.002°
• Cell volume: 352.216 ± 0.018 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes