Information card for entry 2201580

Structure parameters

• Chemical name: propane-2-one 6-chloro-2,4-dinitrophenylhydrazone
• Formula: C9 H9 Cl N4 O4
• Calculated formula: C9 H9 Cl N4 O4
• SMILES: Clc1c(N/N=C(/C)C)c(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: Propanone 2-chloro-4,6-dinitrophenylhydrazone
• Authors of publication: Yasushi Kawai; Motoko Hayashi; Norihiro Tokitoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1098 - o1099
• a: 8.6057 ± 0.0011 Å
• b: 16.11 ± 0.001 Å
• c: 8.9967 ± 0.0011 Å
• α: 90°
• β: 115.557 ± 0.005°
• γ: 90°
• Cell volume: 1125.2 ± 0.2 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 K
• 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
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes