A new CuII complex with a diazamesocyclic ligand based on 1,4-diazacycloheptane (DACH) and functionalized with two additional quinoline donor groups, namely N,N-bis(quinolin-8- ylmethyl)-1,4-diazacycloheptane L, has b...A new CuII complex with a diazamesocyclic ligand based on 1,4-diazacycloheptane (DACH) and functionalized with two additional quinoline donor groups, namely N,N-bis(quinolin-8- ylmethyl)-1,4-diazacycloheptane L, has been synthesized and characterized. X-ray diffraction analysis at room temperature indicates that the title complex [CuLCl](ClO4) 1 (C25H26Cl2N4O4Cu, Mr = 580.94) crystallizes in triclinic, space group P1 with a = 9.589(3), b = 10.857(4), c = 12.724(5) ? a = 98.168(7), b = 106.945(7), g = 101.248(7), V = 1214.6(8) 3, Z = 2, Dc = 1.588 g/cm3, F(000) = 598 and m(MoKa) = 1.161 mm-1. The final R = 0.0479 and wR = 0.0985 with 4267 independent reflections. In the mononuclear CuII complex, the CuII center is pentacoordinated to four nitrogen donors of the ligand and one axial chloride anion, taking a coordination sphere in the midst of the ideal square- pyramid and trigonal bipyramid.展开更多
A pure title compound was isolated from water soluble extraction of the fruits of Gardenia sootepensis Hutch.,and its crystal structure was determined by X-ray diffraction. The crystal, chemical formula C_7H_(10)O_5 a...A pure title compound was isolated from water soluble extraction of the fruits of Gardenia sootepensis Hutch.,and its crystal structure was determined by X-ray diffraction. The crystal, chemical formula C_7H_(10)O_5 and Mr 174. 15, is colorless,transparent and belongs to monoclinic system, space group P2_1. The crystal data are as follows:a=6.467(4), b=18.349(4), c=7. 041(4), β= 116. 21 (5)°,V=749.7(6), Z=4,Dx=1.543 g/cm￣3,F(000)=368,μ=0.08 mm-1,λ(MoKα) =0. 7106,R=0.063. It is weak hydrobonds that result in slight conformation difference between the intermolecular H-bond associated molecules.展开更多
Intramolecular N H···X (X=F, Cl, Br, and Ⅰ) hydrogen bonding patterns of aromatic amides in the solid state are summarized. It is revealed that the key for the formation of this kind of weak intramolec...Intramolecular N H···X (X=F, Cl, Br, and Ⅰ) hydrogen bonding patterns of aromatic amides in the solid state are summarized. It is revealed that the key for the formation of this kind of weak intramolecular hydrogen bonding in X-ray crystal structures is to suppress the competition of strong intermolecular N H···O C hydrogen bonding of the amide unit. For amides with identical backbones, the bonding capacity of halogen atoms as hydrogen bonding acceptors is in the order of F>Cl>Br>I, which is in accordance with their electronegativity strength. Generally, the five-membered hydrogen bonding is easier to form than the six-membered one.展开更多
基金This work was financially supported by NNSFC (No. 29971019)
文摘A new CuII complex with a diazamesocyclic ligand based on 1,4-diazacycloheptane (DACH) and functionalized with two additional quinoline donor groups, namely N,N-bis(quinolin-8- ylmethyl)-1,4-diazacycloheptane L, has been synthesized and characterized. X-ray diffraction analysis at room temperature indicates that the title complex [CuLCl](ClO4) 1 (C25H26Cl2N4O4Cu, Mr = 580.94) crystallizes in triclinic, space group P1 with a = 9.589(3), b = 10.857(4), c = 12.724(5) ? a = 98.168(7), b = 106.945(7), g = 101.248(7), V = 1214.6(8) 3, Z = 2, Dc = 1.588 g/cm3, F(000) = 598 and m(MoKa) = 1.161 mm-1. The final R = 0.0479 and wR = 0.0985 with 4267 independent reflections. In the mononuclear CuII complex, the CuII center is pentacoordinated to four nitrogen donors of the ligand and one axial chloride anion, taking a coordination sphere in the midst of the ideal square- pyramid and trigonal bipyramid.
文摘A pure title compound was isolated from water soluble extraction of the fruits of Gardenia sootepensis Hutch.,and its crystal structure was determined by X-ray diffraction. The crystal, chemical formula C_7H_(10)O_5 and Mr 174. 15, is colorless,transparent and belongs to monoclinic system, space group P2_1. The crystal data are as follows:a=6.467(4), b=18.349(4), c=7. 041(4), β= 116. 21 (5)°,V=749.7(6), Z=4,Dx=1.543 g/cm￣3,F(000)=368,μ=0.08 mm-1,λ(MoKα) =0. 7106,R=0.063. It is weak hydrobonds that result in slight conformation difference between the intermolecular H-bond associated molecules.
基金the National Natural Science Foundation of China (21172042and 20974118)the Ministry of Education of China (IR1117) for financial support
文摘Intramolecular N H···X (X=F, Cl, Br, and Ⅰ) hydrogen bonding patterns of aromatic amides in the solid state are summarized. It is revealed that the key for the formation of this kind of weak intramolecular hydrogen bonding in X-ray crystal structures is to suppress the competition of strong intermolecular N H···O C hydrogen bonding of the amide unit. For amides with identical backbones, the bonding capacity of halogen atoms as hydrogen bonding acceptors is in the order of F>Cl>Br>I, which is in accordance with their electronegativity strength. Generally, the five-membered hydrogen bonding is easier to form than the six-membered one.
