Information card for entry 2240777

Structure parameters

• Chemical name: 1-{[(<i>E</i>)-(4-{[(2<i>Z</i>)-2,3-Dihydro-1,3-thiazol-2-ylidene]sulfamoyl}phenyl)iminiumyl]methyl}naphthalen-2-olate
• Formula: C20 H15 N3 O3 S2
• Calculated formula: C20 H15 N3 O3 S2
• SMILES: S(=O)(=O)(/N=C1\SC=CN1)c1ccc(N/C=C/2C(=O)C=Cc3ccccc23)cc1
• Title of publication: 1-{[(<i>E</i>)-(4-{[(2<i>Z</i>)-2,3-Dihydro-1,3-thiazol-2-ylidene]sulfamoyl}phenyl)iminiumyl]methyl}naphthalen-2-olate
• Authors of publication: Shahid, Muhammad; Tahir, Muhammad Nawaz; Salim, Muhammad; Munawar, Munawar Ali; Shad, Hazoor Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o421 - o422
• a: 9.127 ± 0.002 Å
• b: 10.1417 ± 0.0012 Å
• c: 11.355 ± 0.003 Å
• α: 114.526 ± 0.006°
• β: 91.556 ± 0.005°
• γ: 102.044 ± 0.005°
• Cell volume: 927.5 ± 0.3 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: 0.0992
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes