Information card for entry 7016424

Structure parameters

• Formula: C17 H18 Cl N3 O
• Calculated formula: C17 H18 Cl N3 O
• SMILES: Clc1c(cccc1)NC(=N\C(=O)c1ccccc1)/NC(C)C
• Title of publication: Urease inhibition and anti-leishmanial assay of substituted benzoylguanidines and their copper(ii) complexes.
• Authors of publication: Murtaza, Ghulam; Badshah, Amin; Said, Muhammad; Khan, Hizbullah; Khan, Ajmal; Khan, Samreen; Siddiq, Sadia; Choudhary, M. Iqbal; Boudreau, Josée; Fontaine, Frédéric-Georges
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9202 - 9211
• a: 13.5978 ± 0.0019 Å
• b: 11.6143 ± 0.0016 Å
• c: 20.15 ± 0.003 Å
• α: 90°
• β: 98.91 ± 0.002°
• γ: 90°
• Cell volume: 3143.9 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No