Information card for entry 7100429

Structure parameters

• Common name: 6-Chloro-2,4-dinitroanilene
• Formula: C6 H4 Cl N3 O4
• Calculated formula: C6 H4 Cl N3 O4
• SMILES: c1(c(cc(cc1N(=O)=O)N(=O)=O)Cl)N
• Title of publication: Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline
• Authors of publication: C. Malla Reddy; Srinivas Basavoju; Gautam.Desiraju R
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.9465 ± 0.0012 Å
• b: 8.917 ± 0.003 Å
• c: 12.98 ± 0.004 Å
• α: 89.35 ± 0.03°
• β: 85.575 ± 0.019°
• γ: 63.978 ± 0.015°
• Cell volume: 823.8 ± 0.4 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No