Information card for entry 7213740

Structure parameters

• Common name: 4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol
• Chemical name: 4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol
• Formula: C18 H19 N3 O3 S
• Calculated formula: C18 H19 N3 O3 S
• SMILES: S1(=O)(=O)NCC(=NN=Cc2cc(OCC)c(cc2)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: 14.1043 ± 0.0002 Å
• b: 8.4919 ± 0.0001 Å
• c: 28.3452 ± 0.0004 Å
• α: 90°
• β: 93.671 ± 0.002°
• γ: 90°
• Cell volume: 3388 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No