Information card for entry 2243787

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide
• Formula: C26 H24 Br N3 S
• Calculated formula: C26 H24 Br N3 S
• SMILES: [Br-].s1c(N/N=C2/c3ccccc3CCC2)[n+](c(c1)c1ccccc1)Cc1ccccc1
• Title of publication: Crystal structure of (<i>E</i>)-1-(3-benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide
• Authors of publication: Mohamed, Shaaban K.; Elgarhy, Sahar M. I.; Hassan, Alaa A.; Demirtaş, Güneş; Mague, Joel. T.; Ramli, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 420 - 423
• a: 14.5474 ± 0.0007 Å
• b: 17.8777 ± 0.0008 Å
• c: 9.0803 ± 0.0004 Å
• α: 90°
• β: 108.773 ± 0.002°
• γ: 90°
• Cell volume: 2235.92 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes