Information card for entry 4511352

Structure parameters

• Formula: C14 H10 Cl2 N2 O2
• Calculated formula: C14 H10 Cl2 N2 O2
• SMILES: C(=O)(c1c(cccc1)Cl)NNC(=O)c1ccccc1Cl
• Title of publication: F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study
• Authors of publication: Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1490
• a: 4.8124 ± 0.0008 Å
• b: 6.1524 ± 0.0011 Å
• c: 11.728 ± 0.002 Å
• α: 88.794 ± 0.003°
• β: 81.757 ± 0.003°
• γ: 88.045 ± 0.003°
• Cell volume: 343.41 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No