Information card for entry 2213417

Structure parameters

• Chemical name: N-(4-Chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine formamide solvate
• Formula: C10 H13 Cl N4 O
• Calculated formula: C10 H13 Cl N4 O
• SMILES: Clc1ccc(NC2=NCCN2)cc1.O=CN
• Title of publication: <i>N</i>-(4-Chlorophenyl)-<i>N</i>-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)amine formamide solvate
• Authors of publication: Sema Öztürk Yıldırım; Mehmet Akkurt; Süleyman Servi; Memet Şekerci; Frank W. Heinemann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2130 - o2132
• a: 8.584 ± 0.0005 Å
• b: 13.274 ± 0.0004 Å
• c: 9.908 ± 0.0007 Å
• α: 90°
• β: 105.789 ± 0.005°
• γ: 90°
• Cell volume: 1086.36 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0626
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes