Information card for entry 2239999

Structure parameters

• Chemical name: 4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-Bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate
• Formula: C23 H19 Br N3 O1.5 S
• Calculated formula: C23 H19 Br N3 O1.5 S
• Title of publication: Crystal structure of 4-((1<i>E</i>)-1-{(2<i>Z</i>)-2-[4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]hydrazin-1-ylidene}ethyl)phenol hemihydrate
• Authors of publication: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: o1124 - o1125
• a: 8.485 ± 0.002 Å
• b: 10.336 ± 0.002 Å
• c: 12.057 ± 0.003 Å
• α: 80.515 ± 0.003°
• β: 88.008 ± 0.003°
• γ: 86.249 ± 0.004°
• Cell volume: 1040.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes