Information card for entry 4507742

Structure parameters

• Formula: C2 H2 Cl4
• Calculated formula: C2 H2 Cl4
• SMILES: ClC(Cl)C(Cl)Cl
• Title of publication: Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC‒CHCl2)
• Authors of publication: Negrier, Ph.; Barrio, M.; Tamarit, J. Ll.; Mondieig, D.; Zuriaga, M. J.; Perez, S. C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 2143
• a: 8.9376 ± 0.002 Å
• b: 10.5525 ± 0.0024 Å
• c: 12.3822 ± 0.0028 Å
• α: 90°
• β: 90.601 ± 0.011°
• γ: 90°
• Cell volume: 1167.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No