Information card for entry 7206309

Structure parameters

• Common name: N,N'-Bis(2-(2-hydroxyethylamino)oxalyl)-1,3-(2-methyl) phenylenediamine
• Chemical name: N,N'-Bis[2-(2-hydroxyethylamino)oxalyl]-1,3-(2-methyl) phenylenediamine
• Formula: C15 H20 N4 O6
• Calculated formula: C14.998 H19.995 N4 O5.999
• Title of publication: Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints
• Authors of publication: González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4748
• a: 9.008 ± 0.0018 Å
• b: 9.551 ± 0.0019 Å
• c: 10.593 ± 0.0019 Å
• α: 94.8 ± 0.02°
• β: 99.01 ± 0.03°
• γ: 109.34 ± 0.03°
• Cell volume: 840.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No