Information card for entry 2242077

Structure parameters

• Common name: Pigment Red 254
• Chemical name: 3,6-Bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
• Formula: C18 H10 Cl2 N2 O2
• Calculated formula: C18 H10 Cl2 N2 O2
• SMILES: c1(ccc(cc1)Cl)C1C(=O)NC2=C(c3ccc(cc3)Cl)C(=O)NC=12
• Title of publication: Crystal structure of Pigment Red 254 from X-ray powder diffraction data
• Authors of publication: Ivashevskaya, Svetlana N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 507 - 510
• a: 3.871 ± 0.001 Å
• b: 6.553 ± 0.001 Å
• c: 15.292 ± 0.001 Å
• α: 92.773 ± 0.003°
• β: 94.656 ± 0.003°
• γ: 99.627 ± 0.002°
• Cell volume: 380.42 ± 0.12 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
• Goodness-of-fit parameter for all reflections: 1.149
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes