The hydrothermal reaction of ZnO, H3PO4(85%), (H2NCH2CH2)2NH and H2pydc results in the formation of a discrete mononuclear zinc(II) complex Zn(Hpydc)2(H2O). It crystallizes in monoclinic space group C2/c with a = 17.9...The hydrothermal reaction of ZnO, H3PO4(85%), (H2NCH2CH2)2NH and H2pydc results in the formation of a discrete mononuclear zinc(II) complex Zn(Hpydc)2(H2O). It crystallizes in monoclinic space group C2/c with a = 17.9947(8), b = 7.1875(3), c = 12.5895(4) , b = 110.802(2), V = 1522.14(10) 3, Z = 4, Mr = 415.61, (C14H10N2O9Zn), Dc = 1.814g/cm3, = 16.71cm-1, F(000) = 840, R = 0.0505, wR = 0.1144. Each zinc(II) is coordinated to two nitrogen and three oxygen atoms of which two nitrogen and two oxygen atoms are from two pydc ligands, and one oxygen atom from the coordinated water molecule to form an irregular polyhedral geometry. The complex is linked further into a three-dimensional structure through the weak interactions of hydrogen bonds between the two oxygen atoms. IR spectrum of the complex is also discussed.展开更多
Benzotriazole,N,N'-dimethylpiperazine and N-methylpiperazine were applied to crystallize with 5-sulfosalicylic acid(5-H2SSA),affording three new binary molecular cocrystals [(C6H6N3+).(C7H5O6S-)].H2O(1),[(C6H16N22...Benzotriazole,N,N'-dimethylpiperazine and N-methylpiperazine were applied to crystallize with 5-sulfosalicylic acid(5-H2SSA),affording three new binary molecular cocrystals [(C6H6N3+).(C7H5O6S-)].H2O(1),[(C6H16N22+)1/2.(C7H5O6S-)].H2O(2) and [(C5H14N22+).(C7H5O6S-)2].3H2O(3) under general conditions.Proton-transferring occurs from acid to nitrogen of N-donor compounds in all compounds 1,2 and 3.Analysis of the hydrogen-bonding synthons and their effects on crystal packing were also presented in the context of crystal engineering and host-guest chemistry.In compound 1,1-D infinite chains are extended to a 2-D layered architecture via strong O-H...O hydrogen bonds and then to a 3-D network by N-H...O interactions.Compound 2 and 3 both have the 1-D chain which is formed by O-H...O bonds and weak C-H...O hydrogen bonds.A common intramolecular S(6) [synthon I] ring is formed by the hydroxyl with the carboxyl group in all three compounds.展开更多
基金the National Natural Science Foundation of China the Natural Science Foundation of Fujian Provincea key project from the Chinese Academic of Sciences.
文摘The hydrothermal reaction of ZnO, H3PO4(85%), (H2NCH2CH2)2NH and H2pydc results in the formation of a discrete mononuclear zinc(II) complex Zn(Hpydc)2(H2O). It crystallizes in monoclinic space group C2/c with a = 17.9947(8), b = 7.1875(3), c = 12.5895(4) , b = 110.802(2), V = 1522.14(10) 3, Z = 4, Mr = 415.61, (C14H10N2O9Zn), Dc = 1.814g/cm3, = 16.71cm-1, F(000) = 840, R = 0.0505, wR = 0.1144. Each zinc(II) is coordinated to two nitrogen and three oxygen atoms of which two nitrogen and two oxygen atoms are from two pydc ligands, and one oxygen atom from the coordinated water molecule to form an irregular polyhedral geometry. The complex is linked further into a three-dimensional structure through the weak interactions of hydrogen bonds between the two oxygen atoms. IR spectrum of the complex is also discussed.
基金supported by the National Natural Science Foundation of China(20701023 & 20971076)the Natural Science Foundation of Shandong Province,China(BS2010NJ004 & 2009ZRB019KH)
文摘Benzotriazole,N,N'-dimethylpiperazine and N-methylpiperazine were applied to crystallize with 5-sulfosalicylic acid(5-H2SSA),affording three new binary molecular cocrystals [(C6H6N3+).(C7H5O6S-)].H2O(1),[(C6H16N22+)1/2.(C7H5O6S-)].H2O(2) and [(C5H14N22+).(C7H5O6S-)2].3H2O(3) under general conditions.Proton-transferring occurs from acid to nitrogen of N-donor compounds in all compounds 1,2 and 3.Analysis of the hydrogen-bonding synthons and their effects on crystal packing were also presented in the context of crystal engineering and host-guest chemistry.In compound 1,1-D infinite chains are extended to a 2-D layered architecture via strong O-H...O hydrogen bonds and then to a 3-D network by N-H...O interactions.Compound 2 and 3 both have the 1-D chain which is formed by O-H...O bonds and weak C-H...O hydrogen bonds.A common intramolecular S(6) [synthon I] ring is formed by the hydroxyl with the carboxyl group in all three compounds.
