Information card for entry 7100427

Structure parameters

• Common name: 6-chloro-2,4-dinitroaniline
• Formula: C6 H4 Cl N3 O4
• Calculated formula: C6 H4 Cl N3 O4
• SMILES: Clc1c(N)c(N(=O)=O)cc(N(=O)=O)c1
• 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: 11.285 ± 0.003 Å
• b: 18.22 ± 0.003 Å
• c: 7.886 ± 0.008 Å
• α: 90°
• β: 90.44 ± 0.04°
• γ: 90°
• Cell volume: 1621.4 ± 1.7 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No