Information card for entry 2243015

Structure parameters

• Chemical name: (<i>E</i>)-3-[(4-Chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
• Formula: C16 H15 Br Cl N3 S
• Calculated formula: C16 H15 Br Cl N3 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
• Authors of publication: Duruskari, Gulnara Sh.; Khalilov, Ali N.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1175 - 1179
• a: 8.3146 ± 0.0005 Å
• b: 8.9424 ± 0.0005 Å
• c: 12.2388 ± 0.0006 Å
• α: 80.988 ± 0.002°
• β: 76.458 ± 0.002°
• γ: 70.027 ± 0.002°
• Cell volume: 828.54 ± 0.08 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: 0.0387
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes