Information card for entry 7205909

Structure parameters

• Formula: C9 H9 Cl2 N3 O2
• Calculated formula: C9 H9 Cl2 N3 O2
• SMILES: c12c(cc(cc1)N(=O)=O)NC(CCl)(CCl)N2
• Title of publication: Solvent- and catalyst-free synthesis of 2,3-dihydro-1H-benzo[d]imidazoles
• Authors of publication: Li, Da-Peng; Zhang, Guang-Liang; An, Li-Tao; Zou, Jian-Ping; Zhang, Wei
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 594
• a: 5.6284 ± 0.0002 Å
• b: 12.5878 ± 0.0004 Å
• c: 15.935 ± 0.0004 Å
• α: 90°
• β: 98.913 ± 0.002°
• γ: 90°
• Cell volume: 1115.35 ± 0.06 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: 0.0622
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No