Information card for entry 2243298

Structure parameters

• Chemical name: (<i>E</i>)-3-(Benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
• Formula: C16 H16 Br N3 S
• Calculated formula: C16 H16 Br N3 S
• SMILES: [Br-].S1C(C[N+](/N=C/c2ccccc2)=C1N)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
• Authors of publication: Duruskari, Gulnara Sh.; Akkurt, Mehmet; Mammadova, Gunay Z.; Chyrka, Taras; Maharramov, Abel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 427 - 431
• a: 12.138 ± 0.008 Å
• b: 8.336 ± 0.005 Å
• c: 15.872 ± 0.009 Å
• α: 90°
• β: 93.91 ± 0.016°
• γ: 90°
• Cell volume: 1602.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes