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Synthesis and Crystal Structure of 4-Nitro-2-[(2-diethylaminoethylimino)methyl]phenol

Synthesis and Crystal Structure of 4-Nitro-2-[(2-diethylaminoethylimino)methyl]phenol
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摘要 The title Schiff base compound C13H19N3O3 synthesized by the condensation of equimolar 5-nitrosalicylaldehyde and N,N-diethylethane-1,2-diamine consists of two independent molecules. The compound was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 13.151 (3), b = 20.609(4), c = 20.991 (4) °A, Z = 16, V = 5689(2) °A^3, Dc = 1.239 g/cm^3, Mr = 265.31, λ(MoKa) = 0.71073 °A, μ= 0.089 mm^-1, F(000) = 2272, R = 0.0732 and wR = 0.1454. A total of 5264 unique reflections were collected, of which 2023 with I 〉 2σ(I) were observed. As expected, the molecule adopts trans configuration about the C=N double bond. The molecules in the crystal are linked through intermolecular hydrogen bonds and π-π interactions, forming a 3-D network. The title Schiff base compound C13H19N3O3 synthesized by the condensation of equimolar 5-nitrosalicylaldehyde and N,N-diethylethane-1,2-diamine consists of two independent molecules. The compound was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 13.151 (3), b = 20.609(4), c = 20.991 (4) °A, Z = 16, V = 5689(2) °A^3, Dc = 1.239 g/cm^3, Mr = 265.31, λ(MoKa) = 0.71073 °A, μ= 0.089 mm^-1, F(000) = 2272, R = 0.0732 and wR = 0.1454. A total of 5264 unique reflections were collected, of which 2023 with I 〉 2σ(I) were observed. As expected, the molecule adopts trans configuration about the C=N double bond. The molecules in the crystal are linked through intermolecular hydrogen bonds and π-π interactions, forming a 3-D network.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第10期1179-1182,共4页 结构化学(英文)
基金 The project was supported by the Natural Science Foundation of Anhui Provincial Universities (No. 2005KJ019ZD)
关键词 Schiff base crystal structure hydrogen bonds π-π interactions Schiff base, crystal structure, hydrogen bonds, π-π interactions
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