Information card for entry 2235932

Structure parameters

• Chemical name: <i>N</i>-[(2<i>Z</i>,4<i>Z</i>)-4-Benzylidene-6-chloro-1,4- dihydropyrido[2,3-<i>d</i>][1,3]thiazin-2-ylidene]benzamide
• Formula: C21 H14 Cl N3 O S
• Calculated formula: C21 H14 Cl N3 O S
• SMILES: c12c(cc(cn2)Cl)/c(=C/c2ccccc2)sc(=N\C(=O)c2ccccc2)/[nH]1
• Title of publication: <i>N</i>-[(2<i>Z</i>,4<i>Z</i>)-4-Benzylidene-6-chloro-1,4-dihydropyrido[2,3-<i>d</i>][1,3]thiazin-2-ylidene]benzamide
• Authors of publication: Fernandes, Manuel A.; Levendis, Demetrius C.; Reid, David H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2346
• a: 7.2372 ± 0.0002 Å
• b: 8.3977 ± 0.0003 Å
• c: 15.7467 ± 0.0006 Å
• α: 101.227 ± 0.002°
• β: 98.427 ± 0.002°
• γ: 103.768 ± 0.001°
• Cell volume: 892.85 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes