Information card for entry 7213744

Structure parameters

• Common name: <i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine
• Chemical name: <i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine
• Formula: C15 H13 N3 O2 S
• Calculated formula: C15 H13 N3 O2 S
• SMILES: S1(=O)(=O)NC\C(=N/N=C/c2ccccc2)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: 8.5087 ± 0.0005 Å
• b: 9.0853 ± 0.0006 Å
• c: 19.3952 ± 0.0008 Å
• α: 89.564 ± 0.004°
• β: 79.817 ± 0.004°
• γ: 73.739 ± 0.006°
• Cell volume: 1415.28 ± 0.15 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: 0.1163
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No