Information card for entry 7058716

Structure parameters

• Formula: C18 H19 Cl N4 O2 S
• Calculated formula: C18 H19 Cl N4 O2 S
• Title of publication: A diversity-oriented synthesis of polyheterocycles via the cyclocondensation of azomethine imine
• Authors of publication: Ansari, Arshad J.; Pathare, Ramdas S.; Kumawat, Anita; Maurya, Antim K.; Verma, Sarika; Agnihotri, Vijai K.; Joshi, Rahul; Metre, Ramesh K.; Sharon, Ashoke; Pardasani, R. T.; Sawant, Devesh M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13721
• a: 7.6748 ± 0.0004 Å
• b: 9.367 ± 0.0004 Å
• c: 13.8037 ± 0.0006 Å
• α: 84.937 ± 0.004°
• β: 89.503 ± 0.004°
• γ: 80.948 ± 0.004°
• Cell volume: 976.15 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No