Information card for entry 7251995

Structure parameters

• Common name: Pigment Red 5
• Chemical name: (Z)-N-(5-chloro-2,4-dimethoxyphenyl)-4- (2-(5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)hydrazineylidene)-3-oxo-3,4- dihydronaphthalene-2-carboxamide
• Formula: C30 H31 Cl N4 O7 S
• Calculated formula: C30 H31 Cl N4 O7 S
• Title of publication: Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S
• Authors of publication: Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 7.3396 ± 0.0012 Å
• b: 13.796 ± 0.003 Å
• c: 16.072 ± 0.003 Å
• α: 66.499 ± 0.018°
• β: 89.409 ± 0.016°
• γ: 75.241 ± 0.015°
• Cell volume: 1435.5 ± 0.5 ų
• Cell temperature: 77 K
• Ambient diffraction temperature: 77 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3635
• Residual factor for significantly intense reflections: 0.2244
• Weighted residual factors for significantly intense reflections: 0.4288
• Weighted residual factors for all reflections included in the refinement: 0.4706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9227
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No