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Information card for entry 7016424
Preview
Coordinates | 7016424.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H18 Cl N3 O |
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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 Å3 |
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 |
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