Information card for entry 2210333

Structure parameters

• Chemical name: (1,3-Benzothiazol-2-yl)[1-(2-chlorobenzyl)imidazolidin-2-ylidene]amine
• Formula: C17 H15 Cl N4 S
• Calculated formula: C17 H15 Cl N4 S
• SMILES: Clc1c(CN2C(=N/c3sc4ccccc4n3)/NCC2)cccc1
• Title of publication: (1,3-Benzothiazol-2-yl)[1-(2-chlorobenzyl)imidazolidin-2-ylidene]amine
• Authors of publication: Sema Öztürk Yıldırım; Mehmet Akkurt; Osman Danışman; Memet Şekerci; H.-K. Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3812 - o3813
• a: 20.0595 ± 0.0003 Å
• b: 10.6269 ± 0.0002 Å
• c: 15.0647 ± 0.0002 Å
• α: 90°
• β: 97.572 ± 0.001°
• γ: 90°
• Cell volume: 3183.34 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes