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1.
Using N-P-acetamidobenzenesulfonyl-glycine acid (abbreviated as abglyH2) as a ligand, two zinc(II) complexes [Zn(abglyH)2(bipy)2(H2O)2], (1) and {[Znz(abgly)2(bipy)2(H2O)2]. 2(H2O)}n (2) (bipy = 4,4'-bipyridine) have been synthesized under mild conditions and characterized by IR, elemental analysis and X-ray diffraction analysis. Complex 1 is a monomeric compound, which is further assembled by intermolecular hydrogen bonds and π-π interactions into a 3-D supramolecular network. Complex 2 adopts a one-dimensional double chain structure and is further linked by hydrogen bonds to form a 2-D structure. Fluorescent analysis shows that complex 1 has an emissive maximum at 337 nm and complex 2 exhibits an emissive maximum at 339 nm in the solution state at room temperature. 相似文献
2.
Making use of N-P-acetamidobenzenesulfonyl-glycine acid (abbreviated as abglyH2),two transitional metal complexes [Zn(abglyH)(phen)2]ClO4·H2O (1) and Co(abglyH)2(bipy)2(H2O)2 (2) (phen = 1,10-phenanthroline,bipy = 4,4'-bipyridine) have been synthesized under mild conditions and characterized by IR,elemental analysis and X-ray diffraction analysis. Complex 1 is a monomeric compound which is further assembled by intermolecular hydrogen bonds and π-π interaction into a 2-D supramolecular network. Complex 2 is also a monomeric compound and further connected by intermolecular hydrogen bonds to form a 2-D supramolecular network. Fluorescent analysis shows that complex 1 has an emissive maximum at 364 nm in the solution state at room temperature. 相似文献
3.
ZHENG Zhan-Ying SONG Hai-Bin TONG Jun YAN Dong-Wen LI Zheng-Ming CHEN Jian-Yu ZHANG Shu-Jun LIU Xing-Hai WANG Su-Hua 《结构化学》2008,27(7):841-845
ABSTRACT Monosulfuron is a novel sulfonylurea herbicide with ultra-low dosage invented and patented by Nankai University. Herein its sodium salt was firstly synthesized and crystal structure was determined by X-ray diffraction method. The title compound belongs to the triclinic system, space group P1^- with a = 7.306(6), b = 9.446(8), c = 11.872(10)A, α = 76.578(14), β = 78.049(13), γ = 77.620(14)°, V = 767.7(11)A^3, Mr = 377.32, Z = 2, Dc = 1.632 g/cm^3,μ= 0.283 mm^-1, F(000) = 388, R = 0.0444 and wR = 0.1186. In the title compound, Na(1) coordinates with 0(4) and 0(5) from one monosulfuron molecule, N(4A) and O(5A) from the other monosulfuron molecule and the oxygen atom from H2O to give five coordination bonds. The title complex is further linked into a three-dimensional structure through π…π interactions and intermolecular hydrogen bonds between the oxygen and nitrogen atoms. 相似文献
4.
The title compound has been synthesized by the addition reaction of N-(4-cyanopyrazole-3-yl)-3,5-difluorophenyl-imine and diisopropyl phosphate. Its structure was confirmed by means of IR, ^1H NMR and elemental analysis. The single-crystal structure of the title compound was determined by X-ray crystallography. The compound crystallizes in monoclinic, space group C2/c with a = 18.9959(14), b = 9.2212(7), c = 22.1108(16)A^°, β= 90.1540(10)°, V = 3873.0(5) A^°^3, Dc = 1.366 g/cm^3, Z = 8, μ = 0.185, F(000) = 1664, and the final R = 0.0503 and wR = 0.1539 for 2996 observed reflections (I 〉 2σ(I)). The results demonstrate that the dihedral angle between the pyrazole and benzene rings is 105.5°, and there is a full delocalized pyrazole system with sp^2 hydridization of N(3). The crystal structure is stabilized by two intermolecular hydrogen bonds of N(1)-H(1)…O(3) and N(3)-H(3A)…N(4). The preliminary biological test shows that the title compound has a moderate antifungal activity. 相似文献
5.
5,7-Dimethoxy-2-phenylquinolin-4-yl phenyloxy (N-L-alanine ethyl ester) phosphoramidate (C28H29N2O7P, Mr = 536.17) has been synthesized by a facial phosphorylated reaction, and its structure was determined by IR, NMR, HR MS and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^-, with a = 11.375(2), b = 11.591(2), c = 11.638(2) A^°, α= 109.46(3), β= 104.58(3), γ= 100.48(3)°, V = 1339.6(5)A^°^3, Z = 2, Dc = 1.330 g/cm^3,μ = 0.152 mm^-1, F(000) = 564, the final R = 0.0654 and wR = 0.1546. In the crystal structure, the title compound is constructed by a centrosymmetric dimmer unit composed of a pair of π-π stacking diastereoisomers. The compound has a noteworthy feature in the framework, and such units are linked by two equal intermolecular P=O…H-N hydrogen bonds. 相似文献
6.
The title compound (C16H15ClN2) has been synthesized by a facile self-condensation of o-tolunitrile promoted by potassium tert-butanolate in DMPU, and its structure was characterized by ^1H NMR, ^13C NMR, IR, UV, HRMS and X-ray single-crystal diffraction. The crystal belongs to orthorhombic, space group Pna21 with a = 19.560(3), b = 7.8500(14), c = 18.428(3) A^°, Dc = 1.271 g/cm^3, Z= 8, 2 = 0.71073 A^°,μ(MoKa) = 0.257 mm^-1, Mr = 270.75, V= 2829.5(8) A^°^3, Flack parameter = 0.12(12), F(000) = 1136, the final R = 0.0571 and wR = 0.1445 for 2701 observed reflections with I 〉 20(I). The intermolecular N-H…Cl hydrogen bonds link the molecules into a one-dimensional chain running along axis a. 相似文献
7.
CHEN Wu-Hua ;ZHOU Yun-Long ;TA Hong-Gui ;HU Zhi-Biao ;ZHANG Zhu-Sen ;QIU Ze-Hai ;ZHANG Li ;ZENG Qing-Xin 《结构化学》2009,(12):1677-1680
The title compound 1 has been synthesized by the reaction of H2MoO4,CdCl2,H3PO4,KF,piperazine hexahydrate and water in aqueous solution under mild hydrothermal conditions. Single-crystal X-ray analysis reveals that the title compound crystallizes in the triclinic system,space group P1 with a = 14.049(3),b = 15.972(3),c = 20.043(4) A,α = 85.82(3),β = 81.28(3),γ = 67.15(3)°,V = 4095.9(14) A^3,Mr = 3204.62,Z = 2,Dc = 2.598 g/c^m3,μ = 2.360 mm^-1,F(000) = 3124,the final R = 0.0314,wR = 0.0826 and S = 0.989 for 18592 observed reflections with I 〉 2σ(I). The crystal packing is stabilized by N–H… and O–H… intraand intermolecular hydrogen bonds to form an infinite 3D network. 相似文献
8.
DANG Dong-Bin JIN Ya-Nan BAI Yan SUN Ji-De WANG Jing-Ping 《结构化学》2008,(11):1311-1316
A new compound has been synthesized under hydrothermal conditions and characterized by IR, elemental analysis, XPS and single-crystal X-ray diffraction analysis. The title compound [Mn(en)3]2en0.5[HV8VV8IVO38(CI)]·4.5H2O crystallizes in monoclinic, space group C2/c, with a = 17.016(4), b = 18.858(4), c = 18.872(4) A, β = 93.667(4)°, V = 6043(2)A3, Z = 4, Dc = 2.242 g/cm3, Mr = 2040.12, F(000) = 4020,μ = 2.895 mm-1, Rint = 0.0921, R = 0.0649 and wR = 0.1325. Single-crystal X-ray structure analysis indicates that the title compound consists of a polyanion [HV8VV8IVO38(CI)]4- cage, two [Mn(en)3]2^2+ cations, four and a half lattice waters and a half ethylenediamine. In addition, intermolecular O-H...N, O-H...O, N-H...O and C-H...O hydrogen bonds link the molecules together to form a three-dimensional structure. 相似文献
9.
The title compound, (2R,3R)-3,5,7-trihydroxyflavanone 3-acetate, is a flavanonol derivative which was first isolated from Myoporum bontioides A. Gray and characterized by MS, NMR and CD spectra. In addition, the structure was determined by X-ray single-crystal diffraction analysis. It crystallizes in the triclinic lattice, space group P21 with a = 10.686(3), b = 6.862(2), c = 11.267(3) , β = 107.46(1), V = 788.3(4) 3, Z = 2, C17H16O7, Mr = 332.30, Dc = 1.400 g/cm3, μ(MoKα) = 0.110 mm-1, F(000) = 348, the final R = 0.0283 and wR = 0.0826 for 3428 independent reflections (Rint = 0.017) and 1500 observed ones (I > 2σ(I)). The structure consists of one flavone and one water molecule. The flavone molecules form a 1D column by the p…π stacking interactions and C–H…O hydrogen bonds. The weak intermolecular/intermolecular O–H…O hydrogen bonds observed in the crystal give further rise to a complicated network structure. Primary bioassay showed that the title compound has high inhibitory activity against Magnaporthe grisea with the EC50 values of 199.41 μg/mL. 相似文献
10.
A cyclic bimetallic metal-organic complex [Zn(C)(H-fmpdc)(H2O)]2·2H2O (fmpdc = 4-(furan-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylate) was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in orthorhombic, space group Pbca with a = 12.905(2), b = 14.774(3), c = 16.833(3)A, V= 3029.4(10)A^3 Z = 4, Dc = 1.644 g/cm^3, F(000) = 1616, R = 0.0347 and wR = 0.0956 (I 〉 2σ(I)). There exist diverse supramolecular motifs (1-D, 2-D and 3-D) from distinct hydrogen bonds in the crystal structure of the title compound. The furanyl group has obvious contribution to the red-shift in the photoluminescent spectrum of the H2fmpdc ligand. The title compound 1 shows strong photoluminescence with emission maximum at 2 = 402 nm (λex.max = 367 nm). 相似文献
11.
The title compound (C14H14N6OS, Mr=314.37) has been synthesized and characterized by IR, ^1H NMR and X-ray single-crystal diffraction techniques.The crystal structure shows the presence of a dimmer with intermolecular N(4)H(4)…N(3) hydrogen bonds. 相似文献
12.
WANG Yue-Honga LIN Haib LIN Hua-Kuana② a 《结构化学》2008,27(2):163-166
The title compound, N-(1′-H-pyrrol-2′-ylcarbonyl)-5-amino-1,10-phenanthroline, was synthesized by the reaction of a-pyrrolyl carbonyl chloride and 5-amino-1,10-phenanthroline in pyridine. Determined by X-ray structure analysis, it crystallizes in triclinic system, space group P1 with the following crystallographic data: C20H21N5O3, Mr = 379.42, a = 7.8559(4), b = 9.1681(6), c = 14.6818(9) A, α= 73.254(10),β= 88.938(15), γ= 68.080(10)°, V= 934.66(10) A3, Z = 2, F(000) = 400, Dc = 1.348 g/cm^3 and p = 0.094 mm-1. The final R = 0.0680 and wR = 0.1419 for 2142 observed reflections with I 〉 2σ(/), and R = 0.1084 and wR = 0.1643 for all reflections. Two aromatic ring planes (pyrrole and phenanthroline rings) are connected by the amide plane. Two different types of intermolecular hydrogen bonds, O-H…N and N-H…O, exist in the crystal. The title complex molecules are connected through hydrogen bonds and weak π-π stacking interactions to generate a 3-D supramolecule. 相似文献
13.
GE Cbun-Hua ZHANG Xiang-Dong GUAN Lei YIN Jing WANG Tie-Mei ZHAO Yang HE Cui 《结构化学》2009,28(8):1028-1032
The title compound [Cu(HSSA)(py)3H2O]n (H3SSA = 5-sulfosalicylic acid, py = pyridine) I has been synthesized and structurally determined by single-crystal X-ray diffraction. I was further characterized by elemental analyses, thermogravimetric analyses, IR and UV-visible spectroscopy. The crystal belongs to the monoclinic system, space group P21/c with a = 9.4564(10), b = 18.2679(19), c = 15.7284(12) A,β= 126.045(4)°, V= 2196.9(4)A^3, Z= 4, Dc = 1.618 g/cm^3, Mr = 535.02,μ = 1.141 mm^-1, F(000) = 1100, 2(MoKα) = 0.71073 A, the final R = 0.0429 and wR = 0.1044 for all observed reflections. In the structure, every two Cu(II) atoms are bridged by a bivalent 5-sulfosalicylic anion to form a 1D chain-like coordination polymer. Lattice waters between chains link them to form 2D layers which are further linked by C-H…O hydrogen bonds to form a three-dimensional supramolecular network. 相似文献
14.
The title compound, 2,2-bis(4-tertial butyl phenyl) naphthopyran, has been prepared and characterized by means of IR, ^1H NMR and elemental analysis, and its crystal structure was determined with X-ray diffraction in the ring-opened form after hydrolyzation. It belongs to monoclinic, space group P21/c, with a = 14.358(3), b = 7.6725(15), c = 24.470(5) А, β= 97.147(4)°, C_33H_36O2, Mr=464.62, V= 2674.8(9)А^3, Z = 4, Dc = 1.154 g/cm^3,μ= 0.070 mm^-1, F(000) = 1000, the final R = 0.0514 and wR = 0.1272 for 5444 observed reflections (I 〉 2σ(I)). X-ray analysis revealed that the C(13)-O(1) bond of the title compound cracks after UV irradiation, the six-membered heterocycles are destroyed, and zwitterionic intermediates come into being. The molecular structure in the ring-opened form is obtained after hydrolyzation. It is infrequent that the single-crystal structure is determined in a ring-opened form. A two-dimensional framework is formed by O-H…O and CAr-H…O hydrogen bonds. The UV-vis spectra show that the title compound exhibits excellent photochromic properties in solutions and polymers. 相似文献
15.
GUO Le ZHANG Xu-nong WANG Yu-Xiao WANG Shu-Ping YANG Shu-Tao 《结构化学》2009,28(8):1023-1027
The title compound {[Zn(NIT4Py)(fum)(HEO)2]·H2O}n, where NIT4Py = 2-(4'- pyridinyl)-4,4,5,5-tetra-methylimidazoline-looxyl-3-oxide and fum = fumarate, has been prepared and structurally characterized by X-ray diffraction. It crystallizes in triclinic, space group P1^- with a = 6.9533(9), b = 9.805(1), c = 15.248(2) A, α= 94.608(2), β = 92.328(2), γ = 105.840(2)°, C16H24N3O9Zn, Mr = 467.75, V = 994.8(2) A^3, Z = 2, Dc = 1.562 g/cm^3,μ(MoKα) = 1.289 mm^-1, F(000) = 486, the final R = 0.0243 and wR = 0.0622 for 3505 independent reflections with Rint = 0.0125. The Zn(II) adopts a distorted five-coordinate triangle bipyramidal geometry. The basic framework structure of the complex is a 1-D chain. The intrachain hydrogen bonds are helpful to stabilize the 1-D chain structure. Furthermore, the chains are connected by O-H…O hydrogen bonds to give a 2-D double-layer network. 相似文献
16.
The title complex [CoL(H20)3]2·H2O (C26H46N4O21S4CO2), where L = taurine-5- methyl-2-hydroxyisophthalaldehydes, has been synthesized and characterized by IR and X-ray diffraction analysis. The crystal of the complex belongs to the triclinic system, space group P1, with a = 11.197(4), b = 13.309(5), c = 14.486(5) ]A, a = 78.827(13),β = 70.547(11), γ = 81.058(13)°, Mr = 996.77, S = 1.08, V= 1987.2(13) A3, Z = 2, Dc = 1.666 g/cm3, F(000) = 1032,μ = 1.131 mm^-1, R = 0.0633 and wR = 0.1293. According to the structural analysis, the Co( Ⅱ ) ion adopts a slightly distorted six-coordinated octahedral geometry. One N atom of the Schiff base of each molecule was hydrogenated to form hydrogen bond with O atom. Two coterminous molecules packed in one crystal water molecule are linked by intermolecular hydrogen bonds, thus generating an infinite chain constructed by hydrogen bonds. 相似文献
17.
The title compound [2-(2,6-dioxacyclohexyl)-5-methoxylphenols]2 was synthesized by the reaction of 2-hydroxyl-3-methoxylbenzaldehyde and 1,3-propanediol in the presence of DMF-DMS adduct and characterized by IR spectrum, UV-Vis spectrum and X-ray crystallography. The title compound belongs to monoclinic, space group P21 with a = 9.8967(10), b = 8.2240(9), c = 13.3654(14) A^°, β= 90.016(2)°, C11H14O4, Mr = 210.22, V = 1087.8(2)A^°3, Z = 4, Dc = 1.284 Mg/m^3, F(000) = 448,μ = 0.098 mm^-1, the final R = 0.0300 and wR = 0.0761 for 2070 observed reflections with I 〉 2σ(I). The molecules are connected via intermolecular O-H…O hydrogen bonds into a 2D network structure. Moreover, theoretical investigations of the title compound with HF/6-31G(d) method were performed, and its stability, frontier molecular orbital composition and Mulliken charge distribution were also discussed. The compound is a bis-molecule. The two molecules stay together and could not be separated. Two crystallographically independent molecules exist in an asymmetric unit. The bond lengths and bond angles of the two molecules are slightly different with each other. 相似文献
18.
The title compound, 4β,6α,9α-trimethy-2-carboxyltricyclo[6.3.0.0^(4,5)]undec-2-ene, is a sesquiterpene which was first isolated from Ligularia caloxantha and characterized by MS and NMR. In addition, the structure was determined by X-ray single-crystal diffraction. It crystallizes in orthorhombie, space group P212121 with a = 8.197(2), b = 14.876(3), c = 22.281(6) A, α = β = γ = 90°, V = 2716.9(11) ]A^3, Z = 8, C15H22O2, Mr = 234.34, Dc = 1.146 g/cm^3, μ(MoKa) = 0.074 mm^-1, F(000) = 1024, the final R = 0.0384 and wR = 0.0856 for 6200 independent reflections (Rint = 0.066) and 2538 observed ones (I 〉 2σ(I)). In the molecule, there are three fused five-membered rings; while in this crystal form, the asymmetric unit contains two molecules of the same hand and they are linked together by two intermolecular O-H...O hydrogen bonds to form a dimer. 相似文献
19.
SUN Feng-Mei TIAN Meng-Kui YANG Jing-Hua LIAN Zhao-Xun 《结构化学》2008,27(7):789-792
The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1- with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6)A, α = 112.566(1), β = 92.324(2), γ = 102.91(1)°, V= 1315.65(10) A^3, Z = 2, Dc = 1.344 g/cm^3,μ(MoKa) = 0.282 mm^-1, λ = 0.71073 A, F(000) = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra- and intermolecular C( 12)-H(12)…O(1) and C(28)-H(28)...O(1)# 1 hydrogen bonds were observed in the title compound. 相似文献
20.
JIANG Yin-Zhi ZHANG Lian-Qun LU Jie JIN Xiao-Liang SHEN You-Hong 《结构化学》2008,27(6):717-723
The title compound α,α′-bis(3,5-bismethyl-pyrozole-N-yl)-carbene-acetyl-isopropenyl hydrazine (C16H22N6O, Mr = 314.40) has been prepared. It was characterized by elemental analysis as well as IR, MS, ^1H-NMR and ^13C-NMR spectra. Its crystal structure was determined by single-crystal X-ray diffraction, getting the following data: triclinic, space group P1^- with a = 6.9734(16), b = 10.773(3), c = 12.001(3)A, α = 75.311(4), β = 82.695(4), ),γ = 77.143(4)°, Z = 2, V = 847.9(3)A^3, Dc = 1.231 g/cm^3, F(000) = 336 and/μ(MoKα) = 0.082 mm^-1 (λ= 0.71073A). The results of crystal structure determination show that there exist intermolecular and intramolecular hydrogen bonds, resulting in a two-dimensional supramolecular framework of the title compound. The binding of the title compound to DNA was investigated by absorption, emission, and viscosity measurements. The title compound shows absorption hyperchromicity accompanied by a blue shift at about 254 nm. The binding constant Kb for the title compound has been determined to be 1.89 × 10^4 M^-1 from absorption measurements. The addition of the title compound to DNA pretreated with EB causes appreciable reduction in the emission intensity, indicating that the DNA-bound EB fluorophore is partially replaced by the title compound. The value of K is 3.093 × 10^4 M^-1. The relative viscosity of DNA decreased with the addition of the title compound. Results suggest that the title compound binds to DNA with a non-classical intercalative or groove interaction mode. The observed efficient nuclease activity of the title compound is interesting and may have further influences on the chemistry of DNA minor groove binders. 相似文献