Information card for entry 2229824

Structure parameters

• Common name: 4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin- 5-yl]-3-(4-methoxyphenyl)sydnone
• Chemical name: 4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin- 5-yl]-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ylium-5-olate
• Formula: C19 H16 N6 O3 S
• Calculated formula: C19 H16 N6 O3 S
• SMILES: S1C(=NN=Cc2ccccc2)NN=C(C1)C1=N(=NOC1=O)c1ccc(OC)cc1
• Title of publication: 4-[2-(2-Benzylidenehydrazinylidene)-3,6-dihydro-2<i>H</i>-1,3,4-thiadiazin-5-yl]-3-(4-methoxyphenyl)sydnone
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o902
• a: 14.9236 ± 0.0015 Å
• b: 5.9331 ± 0.0007 Å
• c: 21.425 ± 0.002 Å
• α: 90°
• β: 99.338 ± 0.002°
• γ: 90°
• Cell volume: 1871.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes