Information card for entry 2101557

Structure parameters

• Formula: C9 H10 Cl2 N2 O
• Calculated formula: C9 H10 Cl2 N2 O
• SMILES: O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl
• Title of publication: Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea
• Authors of publication: Pfefer, G.; Boistelle, R.
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 662 - 667
• a: 9.191 Å
• b: 14.632 Å
• c: 7.738 Å
• α: 90°
• β: 101.32°
• γ: 90°
• Cell volume: 1020.38 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No