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pH Dependent Supramolecules Based on Co-crystallization of Pyrazine-2,3,5,6-tetracarboxylic Acid with 4,4'-Bipyridine through Intermolecular Hydrogen Bonds 被引量:4

pH Dependent Supramolecules Based on Co-crystallization of Pyrazine-2,3,5,6-tetracarboxylic Acid with 4,4'-Bipyridine through Intermolecular Hydrogen Bonds
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摘要 Co-crystallization of pztcH_4 with 4,4'-bipyridine(4,4'-bipy) in pH = 3-4 and 1-2 gave two new binary molecular adducts: [(4,4'-bipy H2)(pztc H2)](1) and [(4,4'-bipy H2)(pztcH3)(Cl)]·4H2O(2), respectively. Compounds 1 and 2 have been characterized by IR, elemental analysis, NMR and X-ray single-crystal diffraction. Compound 1 crystallizes in triclinic, space group P1 with a = 5.7752(12), b = 7.9126(16), c = 9.4492(19) ?, α = 97.49(3), β = 107.71(3), γ = 94.52(3)o, V = 404.62(14) A^3, Z = 1, μ = 0.137 mm^1, Dc = 1.692 Mg/m^3, C18H12N4O8, Mr = 412.32, F(000) = 212, S = 1.025, R = 0.0360 and wR = 0.0973. Compound 2 crystallizes in monoclinic, space group C2/c with a = 17.093(3), b = 7.7665(16), c = 18.414(4) A, β = 113.36(3)o, V = 2244.1(8) A^3, Z = 4, μ = 0.244 mm^-1, Dc = 1.542 Mg/m^3, C18H21ClN4O12, Mr = 520.84, F(000) = 1080, S = 1.021, R = 0.0343 and wR = 0.0978. In compound 1, pztc H22- anions self-formed 2-D sheets by strong Oacid-H···Oacidhydrogen bonds, which are further extended to form a 3-D supramolecular network bridged with 4,4?-bipy via N-H···Oacid interactions. In compound 2, besides the 1-D chain constructed by pztc H3-itself through strong H-bond Oacid-H···Oacid, the other chain is constructed with 4,4?-bipy H22+, Cl-anion and water molecules by moderate H-bonds and Ow-H···Cl and N-H···Ow. The two chains are linked with μ3-connected water molecules resulting from the combination of strong synthon-assisted H-bonding Oacid-H···Ow to afford an interlaced 3-D network. Co-crystallization of pztcH_4 with 4,4'-bipyridine(4,4'-bipy) in pH = 3-4 and 1-2 gave two new binary molecular adducts: [(4,4'-bipy H2)(pztc H2)](1) and [(4,4'-bipy H2)(pztcH3)(Cl)]·4H2O(2), respectively. Compounds 1 and 2 have been characterized by IR, elemental analysis, NMR and X-ray single-crystal diffraction. Compound 1 crystallizes in triclinic, space group P1 with a = 5.7752(12), b = 7.9126(16), c = 9.4492(19) ?, α = 97.49(3), β = 107.71(3), γ = 94.52(3)o, V = 404.62(14) A^3, Z = 1, μ = 0.137 mm^1, Dc = 1.692 Mg/m^3, C18H12N4O8, Mr = 412.32, F(000) = 212, S = 1.025, R = 0.0360 and wR = 0.0973. Compound 2 crystallizes in monoclinic, space group C2/c with a = 17.093(3), b = 7.7665(16), c = 18.414(4) A, β = 113.36(3)o, V = 2244.1(8) A^3, Z = 4, μ = 0.244 mm^-1, Dc = 1.542 Mg/m^3, C18H21ClN4O12, Mr = 520.84, F(000) = 1080, S = 1.021, R = 0.0343 and wR = 0.0978. In compound 1, pztc H22- anions self-formed 2-D sheets by strong Oacid-H···Oacidhydrogen bonds, which are further extended to form a 3-D supramolecular network bridged with 4,4?-bipy via N-H···Oacid interactions. In compound 2, besides the 1-D chain constructed by pztc H3-itself through strong H-bond Oacid-H···Oacid, the other chain is constructed with 4,4?-bipy H22+, Cl-anion and water molecules by moderate H-bonds and Ow-H···Cl and N-H···Ow. The two chains are linked with μ3-connected water molecules resulting from the combination of strong synthon-assisted H-bonding Oacid-H···Ow to afford an interlaced 3-D network.
机构地区 College of Chemistry
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第7期1031-1037,共7页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China(No.21571094)
关键词 pyrazine-2 3 5 6-tetracarboxylic acid 4 4'-bipyridine hydrogen bond pyrazine-2,3,5,6-tetracarboxylic acid 4,4'-bipyridine hydrogen bond
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