共查询到20条相似文献,搜索用时 0 毫秒
1.
Abstract The title compound 2-(2,3,4-trimethoxy-6-methylbenzylideneamino)phenol (C17H19NO4, M
r = 301.33) was synthesised and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. The crystal
belongs to monoclinic, space group P21/c, with a = 10.4458(14), b = 8.3870(10), c = 17.780(2) ?, β = 91.102(2)°, V = 1557.4(3) ?3, Z = 4, D
c = 1.285 g/cm3, λ = 0.71073 ?, μ(Mo Kα) = 0.092 mm−1, F(000) = 640. The final refinement gave R = 0.0452, wR(F
2) = 0.1065 for 2,743 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the molecule adopts an E configuration at the C=N functional bond. The dihedral angle between the two phenyl rings is 38.3(3)°. The crystal structure
is stabilized by C–H···O, O–H···O and O–H···N hydrogen bonds and π–π stacking interactions.
Graphical Abstract The title compound 2-(2,3,4-trimethoxy-6-methylbenzylideneamino)phenol (C17H19NO4, M
r = 301.33) was synthesised and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. The crystal
belongs to monoclinic, space group P21/c, with a = 10.4458(14), b = 8.387(1), c = 17.780(2) ?, β = 91.102(2)°, V = 1557.4(3) ?3, Z = 4, D
c = 1.285 g/cm3, λ = 0.71073 ?, μ(Mo Kα) = 0.092 mm−1, F(000) = 640. The final refinement gave R = 0.0452, wR(F
2) = 0.1065 for 2,743 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the molecule adopts an E configuration at the C=N functional bond. The dihedral angle between the two phenyl rings is 38.3(3)°. The crystal structure
is stabilized by C–H···O and O–H···O hydrogen bonds and π–π stacking interactions.
相似文献
2.
Wan-Ju Zhang Yan-Tuan Li Zhi-Yong Wu Zhi-Qiang Liu Zhi-Chao Zheng 《Journal of chemical crystallography》2008,38(9):655-658
Abstract A mixed-ligand complex Cu(IDA)(NBZIM)(H2O) (IDA = iminodiacetate dianion, NBZIM = 6-nitro-1H-benzimidazole) has been synthesized and characterized by elementary analysis,
IR, UV-Vis, molar conductivity and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group
P
with a = 6.9423(14), b = 9.3100(19), c = 11.754(2) ?, α = 69.61(3), β = 85.87(3), γ = 83.87(3)°, Z = 2, R
1 = 0.0463 and ωR
2 = 0.0987. The single crystal X-ray analysis reveals that the Cu(II) atom is coordinated by one tridentate iminodiacetate
dianion, one monodentate nitrobenzimidazole molecule and one water molecule, in a distorted square base pyramidal coordination
geometry. The iminodiacetate dianion chelates the Cu(II) atom in the meridional mode. A three-dimensional network is formed
by hydrogen bonds and stabilized by NBZIM π-π stacking interactions. The interaction of the complex with Fish sperm DNA has
also been studied using absorption spectra.
Index Abstract In the crystal of Cu(IDA)(NBZIM)(H2O), each molecule is linked to other six neighbouring ones by ‘eight’ hydrogen bonds in four cases by means of the ‘symmetry
related’ linkage.
相似文献
3.
Abstract Two new coordination polymers {[Tb2(C4H4O5)3 · 4H2O] · 2H2O}
n
(1) and {[La2(C4H4O5)3 · 3H2O] · 3H2O}
n
(2) (C4H4O5
2− = diglycolato) were prepared by hydrothermal reaction and characterized by X-ray crystallography. The two complexes have
different network structures through carboxylate oxygen atoms and ether oxygen atoms from diglycolato ligands linking lanthanide
ions. The characteristic transition bands 5D4 → 7FJ (J = 6 − 3) of Tb(III) ion are observed in complex 1.
Graphical Abstract Two new coordination polymers {[Tb2(C4H4O5)3 · 4H2O] · 2H2O}
n
(1) and {[La2(C4H4O5)3 · 3H2O] · 3H2O}
n
(2) (C4H4O5
2− = diglycolato) have network structures through the carboxylate oxygen atoms and ether oxygen atoms from diglycolato ligands.
The emission spectrum of complex 1 indicates the 5D4 → 7FJ (J = 6 − 3) transitions of Tb(III) ion.
相似文献
4.
研究了对全取代环戊基六元瓜环(CyP6Q6)与结构诱导剂ZnCl2在稀盐酸条件下长的晶体进行X-射线单晶衍射分析.通过实验得到一个新的晶体,其结构表明,晶体属于斜方晶系,空间群为P21/n,a=27.599(7)(A),6=17.393(7)(A),c=18.265(5)(A),α=90.00°,β=93.369(6)°,γ=90.00°,Z=4,R=0.046,其中结构中出现了蜂巢效应并且形成了较大的孔道. 相似文献
5.
Xia Yin Jin-Niu Tang Gang-Hong Pan Wei-Man Tian Wen-Jia Xu Zhong-Jing Huang 《Molecular Crystals and Liquid Crystals》2014,593(1):179-186
A novel metal-organic supramolecular complex [Zn2 (Zaltoprofen)2(phen)2] (where Zaltoprofen = 5-(1-carboxyethyl)-2-(phenylthio)phenylacetic acid, phen = 1,10-phenanthroline) has been synthesized under hydrothermal condition and characterized by single crystal X-ray diffraction, elemental analysis, spectral method (IR), powder X-ray diffraction (XRD), electronic Spectra (UV-vis), and fluorescent properties. The compound crystallizes in the monoclinic P2(1)/c space group. [Zn2(Zaltoprofen)2(phen)2] features 0-D structural, the π–π stacking interactions and C?H···O hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network. 相似文献
6.
M. Sapnakumari K. Divya K. Singh S. Anthal V. K. Gupta 《Molecular Crystals and Liquid Crystals》2014,605(1):146-154
Ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate was synthesized from ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and ammonium acetate in glacial acetic acid. The synthesized compound was characterized by elemental analysis, FT-IR, thermogravimetric analysis (TGA), differential thermal analysis (DTA), UV-Visible, and single-crystal X-ray diffraction. The title compound, ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate, C21H2OFNO2, crystallizes in the orthorhombic space group Pbca with the following unit-cell parameters: a = 17.417(2), b = 9.7287(9), c = 21.014(2) Å, and Z = 8. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0644 for 1616 observed reflections. An intramolecular N–H…O hydrogen bond generates an S(6) graph-set motif. In the crystal, molecules are linked by N–H…O hydrogen bonds, forming a two-dimensional network. 相似文献
7.
Yip Foo Win Siang Guan Teoh Eng Khoon Lim Shea Lin Ng Hoong Kun Fun 《Journal of chemical crystallography》2008,38(5):345-350
Abstract The title compound, bis(2,4-dinitrobenzoato)tetrabutyldistannoxane(IV), was obtained from the reaction of di-n-butyltin(IV) oxide with 2,4-dinitrobenzoic acid. It crystallizes out as the usual dicarboxylatotetrabutyldistannoxane(IV)
dimer. In the monoclinic system P21/c, a = 12.391(3) ?, b = 19.937(5) ?, c = 15.026(4) ?, α = γ = 90°, β = 102.857(2)°, V = 3618.95(16) ?3 and Z = 2. A crystal structure determination of the title compound reveals the presence of a centrosymmetric planar Sn2O2, with two different environments for tin atoms and two distinct carboxylate groups. Two of the carboxylate groups are bonded
to the exocyclic tin atom in a bidentate bridging manner and the remaining two carboxylate groups are bonded to the tin atom
in a monodentate manner. As a result, both the tin atoms moieties in the complex are five coordinate and exhibit trigonal
bipyramid geometry.
Index Abstract Synthesis, Characterization and Crystal Structure of the Bis(2,4-dinitrobenzoato)tetrabutyldistannoxane(IV) Dimer
Yip Foo Win, Teoh Siang Guan, Lim Eng Khoon, Shea Lin Ng, Hoong Kun Fun
A crystal structure determination of the title compound reveals the presence of a centrosymmetric planar Sn2O2, with two different environments for tin atoms and two distinct carboxylate groups.
相似文献
8.
Chun-nian Xia Wei-xiao Hu Wei Zhou Guo-hong Wang 《Journal of chemical crystallography》2008,38(8):583-586
Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation of protocatechualdehyde with monoheptyl-malonate and recrystallized from
benzene, was confirmed by single-crystal X-ray diffraction (CCDC 272827). The compound crystallizes in triclinic space group
Pī with cell parameters a = 5.296(3) ?, b = 10.711(13) ?, c = 13.870(4) ?, α = 98.84(7)°, β = 90.97(4)°, γ = 96.77(7)° and
Z = 2. The structure is the E isomer and its packing is stabilized by intermolecular O–H···O and C–H···O hydrogen bonds.
Index Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation, was confirmed by single-crystal X-ray diffraction showing its structure
is in E isomer and its packing is stabilized by hydrogen bonds.
相似文献
9.
Wen-Hui Li 《Journal of chemical crystallography》2009,39(6):449-452
Abstract The compound 5-bromonicotinic acid [1-(4-chlorophenyl)methylidene]hydrazide monohydrate methanol solvate, derived from the
condensation reaction of 5-bromonicotinic acid hydrazide with 4-chlorobenzaldehyde in a methanol solution, was synthesized
and characterized by elemental analysis, IR spectrum, 1H NMR and X-ray single crystal determination. The compound crystallizes in the triclinic space group P − 1 with unit cell dimensions a = 6.9360(14) ?, b = 10.070(2) ?, c = 12.267(3) ?, α = 84.39(3)°, β = 86.10(3)°, γ = 80.50(3)°, V = 839.8(3) Ǻ3, Z = 2, R
1 = 0.0724, and wR
2 = 0.1720. X-ray structure determination reveals that the compound has a trans configuration with respect to the C=N double bond or C–N single bond. In the crystal structure, molecules are linked through
intermolecular O–H···N, O–H···O, and C–H···O hydrogen bonds, forming layers parallel to the ab plane. The preliminary biological tests show that the compound has excellent antibacterial activity.
Index Abstract The compound 5-bromonicotinic acid [1-(4-chlorophenyl)methylidene]hydrazide monohydrate methanol solvate, derived from the
condensation reaction of 5-bromonicotinic acid hydrazide with 4-chlorobenzaldehyde in a methanol solution, was synthesized
and characterized by elemental analysis, IR spectrum, 1H NMR and X-ray single crystal determination. The molecule of the compound has a trans configuration with respect to the C=N double bond or C–N single bond. In the crystal structure, molecules are linked through
intermolecular O–H···N, O–H···O, and C–H···O hydrogen bonds, forming layers parallel to the ab plane. The preliminary biological tests show that the compound has excellent antibacterial activity.
相似文献
10.
Synthesis,Characterization and Crystal Structure Determination of a Hepta-coordinated Cadmium(II) Complex with Thiocyanato-bridges 总被引:1,自引:0,他引:1
Dongbin Dang Jide Sun Yan Bai Hui Gao Weili Shang 《Journal of chemical crystallography》2009,39(9):683-687
Abstract A new cadmium(II) complex [(C28H24N6)Cd(SCN)2]2(CH3OH)2 (1) has been synthesized and characterized by IR, UV spectra, TG-DTA technique and single crystal X-ray diffraction analysis.
The crystallographic data for compound 1: triclinic P1ˉ, a = 9.630(2) Å, b = 11.123(3) Å, c = 15.396(4) Å, α = 106.93(1)°, β = 91.60(1)°, γ = 99.99(1)°, V = 1,548.5(6) Å3, Z = 1, Dc = 1.512 mg/m3, F(000) = 716, R
1 = 0.0332, wR
2 = 0.0907. The molecule contains a symmetrical dinuclear unit in which two Cd(II) ions are double bridged by two di-μ-1,3-SCN− anoins with a cadmium–cadmium separation of 6.48 Å. Each Cd(II) ion is seven-coordinated with six nitrogen atoms and a sulfur
atom to form a monocapped trigonal prism coordination geometry. In addition, the molecule is further connected by multiform
intermolecular C–H···π, π···π interactions and hydrogen bonds to form a three-dimensional supramolecular structure.
Graphical Abstract A hepta-coordinated Cd(II) complex which exhibits a distorted a monocapped trigonal prism coordination geometry has been achieved
by using bisbidentate Schiff-base ligand and thiocyanate anion.
相似文献
11.
Li Zhang Guan-Cheng Xu Lang Liu Guang-Fei Liu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(2):151-155
Abstract A new compound 1-phenyl-3-methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5 (PMPeP-SHZ) has been synthesized and
characterized by elemental analysis, IR spectrum, MS and single crystal X-ray diffraction. The compound crystallizes in a
monoclinic, space group P2(1)/c with cell parameters: a = 10.8275(19) ?, b = 24.689(4) ?, c = 9.7167(16) ? and β = 95.127(4)°, Z = 4, S = 1.097. In the crystal structure, the compound presents in the diketo form. The structure exhibits both intra- and intermolecular
hydrogen bonding and the molecules are interlinked through hydrogen bonds forming an infinite 2D network. The fluorescent
result shows blue emission at room temperature in solid state.
Graphical Abstract
Synthesis, Characterization and Crystal Structure of 1-Phenyl-3- methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5
Li Zhang, Guan-Cheng Xu, Lang Liu, Guang-Fei Liu, and Dian-Zeng Jia*
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
12.
Aira Miró Vera William Velásquez Alexander Briceño Alí Bahsas Bahsas Belkis Ramírez Valero Graciela Diaz de Delgado 《Journal of chemical crystallography》2007,37(8):543-548
Dimethyl-7-oxabicyclo[2.2.1]hept-5-ene exo,exo-2,3-dicarboxylate (1) was prepared by Fisher esterification of 7-oxabicyclo[2.2.1]-hept-5-ene exo-2,3-dicarboxylic anhydride (2) in methanol. The colorless plates obtained were characterized by FT-IR, 1H- and 13C-NMR, TGA-DSC, and single crystal X-ray diffraction. The material crystallizes in space group P21/c, with a = 9.2375(14) Å, b = 12.8757(18) Å, c = 9.4608(15) Å, β = 115.327(3)°, V = 1017.1(3) Å3, and Z = 4. Chains of hydrogen-bonded molecules along the c-axis interact in the b direction to form layers parallel to the bc plane. 相似文献
13.
Joshua Ayoola Obaleye Mino R. Caira Adedibu C. Tella 《Journal of chemical crystallography》2007,37(10):707-712
Abstract A novel polymeric zinc(II) complex of quinine, [chlorosulphato (2-ethenyl)-4-azabicyclo[2.2.2]oct-5-ylium-(6-methoxyquinolin-4-yl)
methanol zinc(II)] has been synthesized and characterized. Single-crystal X-ray diffraction analysis of the complex (C20H25ClN2O6SZn) revealed that quinine forms a zigzag coordination polymeric complex with Zn(II) of extended chains –ZnCl–O–SO2–O–Zn–O–SO2–O–ZnCl–. The crystals are monoclinic, space group C2 with a = 20.5035(5), b = 9.7943(2), c = 11.7814(4) ?, β = 96.578(2)°, Z = 4, V = 2350.3(1) ?3. The complex exhibits a tetrahedral geometry. Each Zn(II) centre is thus coordinated to an O atom from each of two sulphate
bridges, a Cl atom and quinoline atom N(4) of the quinine moiety. The second quinuclidine nitrogen in the quinine is protonated.
In the crystal, there is linkage of two polymeric chains related by a twofold rotation axis, resulting in a bilayer. The linking
is achieved by hydrogen bonding from the quinine cation which provides two donors (–OH, N+–H), to oxygen atoms of sulphate groups which act as acceptors.
Graphical Abstract The new polymeric zinc(II) complex of quinine, [chlorosulphato (2-ethenyl)-4-azabicyclo[2.2.2]oct-5-ylium-(6-methoxy quinolin-4-yl)
methanol Zinc(II)] has been synthesized and structurally characterized The compound was characterized by IR spectroscopy,
elemental analysis and X-ray diffraction. X-ray analysis showed that quinine forms a zigzag coordination polymeric complex
with Zn(II) of extended chains –ZnCl–O–SO2–O–Zn–O–SO2–O–ZnCl–.
相似文献
14.
Ki-Young Choi 《Journal of chemical crystallography》2008,38(1):53-56
Abstract The tridentate Schiff base carboxylate-containing ligand 2-pyridylmethylamino-3-butyric acid (Hpaba) reacts with copper(II)
perchlorate to give the one-dimensional chain complex {[Cu(μ-paba)](ClO4)·H2O}
n
(1). The coordination geometry of each copper(II) ion is best described as a square-plane with two nitrogen atoms and one carboxylate
oxygen atom of the ligand, and one carboxylate oxygen atom belong to another ligand. It crystallizes in the monoclinic system
P21/c with a = 12.717(2), b = 7.9163(15), c = 14.981(2) ?, β = 111.14(1)°, V = 1406.8(4) ?3, Z = 4. Cyclic voltammogram of 1 undergoes the reversible one-electron oxidation to the Cu(III) and the reversible one-electron reduction to the Cu(I) state.
Graphical Abstract Crystal structure of 1 reveals a syn-anti carboxylate-bridged one dimensional chain complex in which the coordination environment around each copper(II) ion exhibits
a distorted square plane.
相似文献
15.
Hossein Aghabozorg Mohammad Ghadermazi Fatemeh Zabihi Bahar Nakhjavan Janet Soleimannejad Elahe Sadr-khanlou Abolghasem Moghimi 《Journal of chemical crystallography》2008,38(9):645-654
Abstract Three new complexes of zinc(II) with three different proton transfer compounds, obtained from pyridine-2,6-dicarboxylic acid
(dipicolinic acid) and different Lewis bases, were synthesized and characterized using IR, 1H NMR and 13C NMR spectroscopy and single crystal X-ray diffraction. The chemical formulae and space groups of the complexes are (pipzH2)[Zn(pydc)2] · 4H2O, P21/n (1), (EDGnH2)[Zn(pydc)2] · 3H2O, P21/c (2) and (pdaH2)[Zn(pydc)2] · 4H2O,
(3) where pydc, pipz, EDGn and pda are standing for dipicolinic acid, piperazine, ethylenediguanidine and 1,3-propanediamine
respectively. Cell parameters of the complexes are a = 7.9493(4) ?, b = 13.4386(7) ?, c = 21.0557(11) ?, β = 90.415(5)° for 1; a = 9.785(3) ?, b = 25.671(4) ?, c = 9.3402(16) ?, β = 90.790(17)° for 2 and a = 8.411(5) ?, b = 11.650(7) ?, c = 12.793(8) ?, α = 115.534(9)°, β = 92.791(10)°, γ = 97.778(10)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In all three compounds a large
number of O–H⋯O, N–H⋯O and C–H⋯O hydrogen bonds are observed. These interactions as well as other noncovalent interactions
such as ion–pairing and π–π stacking play an important role in the formation and stabilization of supramolecular systems in
the crystal lattices.
Index Abstract The main purpose of this paper is to report and discuss about the synthesis, characterization, crystal structure and non-covalent
interactions of three supramolecular frameworks of six-coordinated Zn(II) complexes, obtained by the reaction of different
proton transfer compounds, i.e. (pipzH2)(pydc), (EDGnH2) (pydc) · 3H2O and (pdaH2)(pydc) · (pydcH2) · 2.5H2O with corresponding metallic salts.
相似文献
16.
İzzet Amour Morkan Ayşe Uztetik Morkan Çiğdem Tuç Engin Kendi 《Journal of chemical crystallography》2008,38(7):541-545
Abstract Pentacarbonyl(4-methylpyridine)chromium(0) complex was isolated from n-hexane solution as yellow plate-like crystals and characterized by using X-ray crystallography. It crystallizes in the orthorhombic
system with the space group Cmcm and Z = 4. The unit cell parameters are a = 11.737(1) ?, b = 12.857(2) ?, c = 8.465(1) ?. The single crystal X-ray structure of the complex shows that the coordination sphere around the chromium central
atom is slightly distorted octahedron, involving the 4-methylpyridine (4-mp), ligand as a monodentate N-donor ligand and five
carbonyl groups. The four equatorial CO groups in the complex, with the Cr–C2 distance of 1.886 Ǻ, are slightly bent away
from the 4-methylpyridine ligand with the N–Cr–C2 angle of 91.69°. The pyridine ring plane makes an angle of 135.17° with
the Cr–N–CO bond axis. The thermal analysis (differential thermal analysis and thermal gravimetry) and IR spectra of the complex
indicated that the compound undergoes complete decomposition to form the Cr2O3 as the final decomposition product.
Index Abstract The crystal structure of pentacarbonyl(4-methylpyridine)chromium(0) complex has been determined and its thermal behavior has
also been studied.
相似文献
17.
Wang Qing-Min Liu Gang Shao Rui-Lian Huang Run-Qiu 《Journal of chemical crystallography》2004,34(1):31-37
The title compound 3,5-di(2-propenyl)-6-phenyl-1,3,5-triazine-2,4-dione has been synthesized by the reaction of 6-phenyl-1,3,5-triazine-2,4-dione with allyl bromide. Its structure was determined by X-ray single crystal diffraction. The crystal belongs to orthorhombic, space group Pbca with the following crystallographic parameters: a = 16.282(4) Å, b = 8.888(2) Å, c = 19.281(5) Å, = 90°, = 90°, = 90°, = 0.088 mm–1, V = 2790.1(13) Å3, z = 8, Dx = 1.282 mg/m3, F(000) = 1136, T = 293(2) K, 2.11° 25.02°, the final R factor: R
1 = 0.0430, wR2 = 0.0981. The X-ray results demonstrate that the reaction of 6-phenyl-1,3,5-triazine-2,4-dione with allyl bromide in the presence of N,N-dimethylformamide and potassium carbonate yields the N-alkylated product. The title compound 2-dimethylamino-4-ethoxycarbonylmethoxy-6-phenyl-1,3,5-triazine has been synthesized by a new reaction, in which the solvent N,N-dimethylformamide involves. Its structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic, space group P-1 with the following crystallographic parameters: a = 7.977(2) Å, b = 10.394(3) Å, c = 10.837(3) Å, = 111.774(5)°, = 104.050(5)°, = 99.446(5)°, = 0.093 mm–1, V = 776.6(4) Å3, z = 2, Dx = 1.293 mg/m3, F(000) = 320, T = 293(2) K, 2.14° 25.03°, the final R factor: R
1 = 0.0582, wR
2 = 0.1399. The distance of N(4)
C(2) (1.339 Å) is much shorter than the length of normal C
N (1.47 Å) and very close to that of C-N (1.33 Å), which is indicative of the significant double bond character. 相似文献
18.
Shi-Qiang Liu Bin Quan Hong-Ru Dong Heng-Shan Dong 《Journal of chemical crystallography》2009,39(2):87-90
Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3
was synthesized from 1-aminonaphthalene. The yielded product 3 was investigated
with X-ray crystallographic, NMR, MS and IR techniques. Compound 3,
C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4)
?, V = 2500.1(8) ?3, Z = 8, Dx = 1.346 Mgm-3. The final R was
0.0474. The molecular packing is stabilized by intermolecular O–H···N interactions.
Index Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3 was synthesized from 1-aminonaphthalene. The yielded product 3
was investigated with X-ray crystallographic, NMR, MS and IR techniques. Compound 3, C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4) ?,
α = β = γ = 90.00o. V = 2,500.1(8) ?3, Z = 8, Dx = 1.346 Mgm−3. The final R was 0.0474. The molecular packing is stabilized by
intermolecular O–H···N interactions.
相似文献
19.
William R. Gemmill Mark D. Smith Hans-Conrad zur Loye 《Journal of chemical crystallography》2007,37(12):793-795
Abstract Single crystals of the lanthanum-containing ruthenate, trilanthanum ruthenium septaoxide, La3RuO7, were prepared via high-temperature flux growth and structurally characterized by single-crystal X-ray diffraction. The compound
crystallizes in the orthorhombic space group Cmcm with a = 11.2077(6) ?, b = 7.4531(4) ?, and c = 7.6042(4) ? and is a member of a well-known family of compounds with the general formula Ln3MO7.
Graphical abstract
Synthesis and crystal structure of the fluorite-related ruthenate, trilanthanum ruthenium septaoxide La
3
RuO
7
William R. Gemmill, Mark D. Smith and Hans-Conrad zur Loye*
Single crystals of La3RuO7 were isolated from a high-temperature KCl flux and characterized by single crystal X-ray diffraction. A view of the crystal
structure approximately along [001] of La3RuO7 and displacement ellipsoids drawn at 50% probability level. The vertex-sharing RuO6 octahedra are shown in blue, La3+ are shown in yellow, and O2− are shown in red.
相似文献
20.
Priti Adlakha S. Naveen S. Lakshmi Atul Manvar Denish Karia Anamik Shah M. A. Sridhar J. Shashidhara Prasad 《Journal of chemical crystallography》2009,39(6):389-394
Abstract A novel unsymmetrical dihydropyridine, possessing carboxymethyl and carbomethoxy groups at C(3) and C(5), respectively, has
been produced using a modified Hantzsch synthesis, under solvent free conditions, in a domestic microwave oven. The product
obtained was characterized by spectroscopic techniques and finally confirmed by X-ray diffraction studies. The title compound
C17H18N2O5 crystallizes in the monoclinic system in the space group P21/c with cell parameters a = 12.860(2) ?, b = 7.4950(6) ?, c = 16.734(3) ?, β = 94.436(3)°, Z = 4 and V = 1608.1(4) ?3. The 1,4-dihydropyridine ring in the structure is in a flattened boat conformation. The molecule possesses a chiral center
at C4. The 3-nitrophenyl ring is nearly orthogonal to the 1,4-dihydropyridine ring. The carbonyl groups at C3 and C5 are oriented
in −antiperiplanar and +synperiplanar conformations, respectively. The structure exhibits both inter and intramolecular hydrogen bonds of the type N–H···O and
C–H···O.
Index Abstract A novel unsymmetrical dihydropyridine, possessing carboxymethyl and carbomethoxy groups at C(3) and C(5) respectively, has
been produced using a modified Hantzsch synthesis, under solvent free conditions, in a domestic microwave oven. The product
obtained was characterized by spectroscipic techniques and finally confirmed by X-ray diffraction studies. The title compound
C17H18N2O5 crystallizes in the monoclinic system in the space group P21/c with cell parameters a = 12.860(2) ?, b = 7.4950(6) ?, c = 16.734(3) ?, β = 94.436(3)°, Z = 4 and V = 1608.1(4) ?3. The 1,4-dihydropyridine ring in the structure is in a flattened boat conformation. The molecule possesses a chiral center
at C(4). The 3-nitrophenyl ring is nearly orthogonal to the 1,4-dihydropyridine ring. The carbonyl groups at C(3) and C(5)
are oriented in −antiperiplanar and +synperiplanar conformations respectively. The structure exhibits both inter and intramolecular hydrogen bonds of the type N–H···O and C–H···O.
相似文献
M. A. SridharEmail: |