Information card for entry 2311237

Structure parameters

• Chemical name: (<i>Z</i>)-1-[(2<i>E</i>)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinium bromide
• Formula: C23 H20 Br N3 O S
• Calculated formula: C23 H20 Br N3 O S
• SMILES: s1cc([n+](c1N/N=C(\C)c1ccc(O)cc1)c1ccccc1)c1ccccc1.[Br-]
• Title of publication: (Z)-1-[(2E)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazinium bromide including an unknown solvate.
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 6
• Pages of publication: o647 - 8
• a: 7.5987 ± 0.0012 Å
• b: 12.3017 ± 0.0019 Å
• c: 13.786 ± 0.002 Å
• α: 68.076 ± 0.0017°
• β: 88.154 ± 0.0018°
• γ: 72.654 ± 0.0018°
• Cell volume: 1136.5 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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 all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No