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Synthesis and Crystal Structure of a Novel Organic Adduct Nonlinear Optical Material: 3,5-Dinitrobenzonic Acid·ethanolamine (3,5-DNBEA)

Synthesis and Crystal Structure of a Novel Organic Adduct Nonlinear Optical Material: 3,5-Dinitrobenzonic Acid·ethanolamine (3,5-DNBEA)
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摘要 The title compound (C2H7NO·C7H4N2O6) has been obtained by the reaction of ethanolamine with 3,5-dinitrobenzoic acid in deionized water at room temperature. The crystal crystallizes in orthorhombic, space group P212121 with a = 6.048(2), b = 9.146(3), c = 21.955(7) A^°, C9H11N3O7, Mr = 273.21, Z = 4, V= 1214.3(7) , A^°3, Dc = 1.494 g/cm^3, F(000) = 568,μ(MoKα) = 0.131 mm^-1, R1 = 0.0338 and wR2 = 0.0497. The new organic adduct is composed of one ethanolamine and one 3,5-dinitrobenzoic acid, which are linked up by O-H…O and N-H…O types of hydrogen bonds to form a nine-membered ring and an eleven-membered ring, extending into a one-dimensional network structure. The title compound (C2H7NO·C7H4N2O6) has been obtained by the reaction of ethanolamine with 3,5-dinitrobenzoic acid in deionized water at room temperature. The crystal crystallizes in orthorhombic, space group P212121 with a = 6.048(2), b = 9.146(3), c = 21.955(7) A^°, C9H11N3O7, Mr = 273.21, Z = 4, V= 1214.3(7) , A^°3, Dc = 1.494 g/cm^3, F(000) = 568,μ(MoKα) = 0.131 mm^-1, R1 = 0.0338 and wR2 = 0.0497. The new organic adduct is composed of one ethanolamine and one 3,5-dinitrobenzoic acid, which are linked up by O-H…O and N-H…O types of hydrogen bonds to form a nine-membered ring and an eleven-membered ring, extending into a one-dimensional network structure.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第4期449-452,共4页 结构化学(英文)
基金 This project was supported by the Innovation Foundation for College Students of Nankai University
关键词 crystal structure ethanolamine.3 5-dinitrobenzoic acid hydrogen bond nonlinear optical crystal structure, ethanolamine.3,5-dinitrobenzoic acid, hydrogen bond, nonlinear optical
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