Information card for entry 7239874

Structure parameters

• Formula: C6 H12 Cl2 N2 O
• Calculated formula: C6 H12 Cl2 N2 O
• Title of publication: Synthesis, intermolecular interactions and biological activities of two new organic–inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O
• Authors of publication: Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 5864 - 5873
• a: 16.678 ± 0.005 Å
• b: 7.107 ± 0.005 Å
• c: 15.865 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.397 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1864.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0289
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No