Information card for entry 2238509

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride
• Formula: C19 H21 Cl N2 O2
• Calculated formula: C19 H21 Cl N2 O2
• SMILES: c1(ccc(cc1)C(=N\c1c(cccc1C(C)C)C(C)C)\Cl)N(=O)=O
• Title of publication: (<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Jones, Dyfyr Heulyn; Masmali, Ali; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1384
• a: 8.2988 ± 0.0004 Å
• b: 10.4667 ± 0.0003 Å
• c: 10.9665 ± 0.0003 Å
• α: 75.568 ± 0.002°
• β: 85.411 ± 0.002°
• γ: 74.145 ± 0.002°
• Cell volume: 887.33 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes