Information card for entry 7213738

Structure parameters

• Common name: <i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine
• Chemical name: <i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine
• Formula: C16 H15 N3 O2 S
• Calculated formula: C16 H15 N3 O2 S
• SMILES: S1(=O)(=O)NCC(=NN=Cc2cc(ccc2)C)c2c1cccc2
• Title of publication: Multilevel topological description of molecular packings in 1,2-benzothiazines
• Authors of publication: Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1963
• a: 8.1464 ± 0.0003 Å
• b: 8.3969 ± 0.0003 Å
• c: 11.1659 ± 0.0004 Å
• α: 86.728 ± 0.003°
• β: 84.54 ± 0.003°
• γ: 86.4 ± 0.003°
• Cell volume: 757.83 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No