Information card for entry 2240121

Structure parameters

• Chemical name: (2<i>E</i>)-<i>N</i>-Methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide
• Formula: C14 H11 N3 O S
• Calculated formula: C14 H11 N3 O S
• SMILES: S=C(N/N=C\1c2c3c(C1=O)cccc3ccc2)NC
• Title of publication: Crystal structure of (2<i>E</i>)-<i>N</i>-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide
• Authors of publication: Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 415 - 417
• a: 6.111 ± 0.0006 Å
• b: 10.0547 ± 0.0011 Å
• c: 21.497 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1320.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes