Information card for entry 7016422

Structure parameters

• Formula: C18 H20 Cl N3 O
• Calculated formula: C18 H20 Cl N3 O
• SMILES: c1(ccccc1)C(=O)/N=C(Nc1c(Cl)cccc1)/NC(C)(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: 10.0536 ± 0.0015 Å
• b: 14.736 ± 0.002 Å
• c: 12.5743 ± 0.0019 Å
• α: 90°
• β: 113.06 ± 0.002°
• γ: 90°
• Cell volume: 1714 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No