Information card for entry 2216301

Structure parameters

• Chemical name: Benzyl <i>N</i>'-(2-methoxybenzoyl)hydrazinecarbodithioate
• Formula: C16 H16 N2 O2 S2
• Calculated formula: C16 H16 N2 O2 S2
• SMILES: S=C(SCc1ccccc1)NNC(=O)c1c(OC)cccc1
• Title of publication: Benzyl <i>N</i>'-(2-methoxybenzoyl)hydrazinecarbodithioate
• Authors of publication: Singh, N.K.; Singh, Mamata; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4679 - o4679
• a: 7.493 ± 0.002 Å
• b: 10.23 ± 0.003 Å
• c: 11.212 ± 0.004 Å
• α: 74.56 ± 0.03°
• β: 81.49 ± 0.03°
• γ: 77.61 ± 0.02°
• Cell volume: 805.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1494
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.2731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes