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1.
De-Suo Yang 《Journal of chemical crystallography》2007,37(5):343-348
The Schiff base compounds, isonicotinic acid [1-(3-methoxy-2-hydroxyphenyl) methylidene]hydrazide (C14H13N3O3, 1) and isonicotinic acid [1-(4-dimethylaminophenyl) methylidene]hydrazide monohydrate (C15H16N4O·H2O, 2) have been synthesized by the condensation of equimolar 3-methoxysalicylaldehyde or 4-dimethylaminobenzaldehyde with isonicotinic
acid hydrazide in MeOH or EtOH. The compounds were characterized by elemental analysis, IR, 1HNMR spectra, and single crystal X-ray diffractions. Compound 1 crystallizes in the monoclinic space group P-1 with unit cell dimensions a = 7.662(1) ?, b = 16.249(2) , c = 10.874(2) ?, β = 110.426(3)°, V = 1268.7(3) ′3, Z = 4, R
1 = 0.0644, and wR
2 = 0.1283. Compound 2 crystallizes in the orthorhombic space group P212121 with unit cell dimensions a = 7.388(1) ?, b = 11.812(1) ?, c = 17.197(2) ?, V = 1500.7(2) ′3, Z = 4, R
1 = 0.0585, and wR
2 = 0.1143. X-ray structure determinations revealed that the molecules of both compounds display trans configurations with respect to the C=N double bonds. In the crystal structure of 1, molecules are linked through N–H···N intermolecular hydrogen bonds, forming layers parallel to the bc plane, while in the crystal structure of 2, molecules are linked through N–H···O, O–H···O, and O–H···N intermolecular hydrogen bonds, forming a network.
Supplementary material CCDC-615072 and 620235 contain the supplementary crystallographic data for this paper. These data can be obtained free of
charge at http://www.ccdccam. ac.uk/const/retrieving.html or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union
Road, Cambridge CB2 1EZ, UK; fax: +44(0)1223–336033 or e-mail: deposit@ccdc.cam.ac.uk. 相似文献
2.
Synthesis and Crystal Structure of [2-(4-chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone
S. Naveen T. D. Venu S. Shashikanth M. A. Sridhar J. Shashidhara Prasad 《Journal of chemical crystallography》2007,37(12):787-791
[2-(4-Chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone was synthesized and characterized by spectroscopic and X-ray diffraction methods. The molecule crystallizes in the monoclinic space group P21/c with cell parameters a = 13.7530(19) Å, b = 10.0560(19) Å, c = 13.469(3) Å, β = 100.630(7)° and Z = 4. There is a large discrepancy between the carbonyl group bond lengths of ketone and the ester. The structure exhibits intermolecular hydrogen bonds of the type C–H···O. 相似文献
3.
Xian-Feng Huang Lei Shi Huan-Qiu Li Hai-Liang Zhu 《Journal of chemical crystallography》2007,37(11):739-742
Abstract The title compound, 3, 6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]- benzene-1,3-dicarbaldehyde was synthesized by Vilslmeier reaction from resveratrol
(trans-3,4′,5-trihydroxystilbene). Its structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic,
space group P21/n with crystallographic parameters: a = 7.2950(15) ?, b = 14.781(3) ?, c = 12.202(2) ?, β = 96.57(3)°, μ = 0.108 mm−1, V = 1307.1(5) ?, Z = 4, Dx = 1.445 g/cm3, F(000) = 592, T = 293(2) K, 2.17°≤ θ ≤ 26.00°. The X-ray results demonstrated that the Vilslmeier reaction of resveratrol with DMF, POCl3 and CH3CN yielded 4,6-dhydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde.
Graphical Abstract In this article, a resveratrol derivative was prepared and structurally characterized by single crystal X-ray diffraction.
相似文献
4.
Abstract The title compound bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol 8 has been synthesized and established by H NMR, IR and MS spectra and X-ray diffraction crystallography. Compound 8, C23H29Cl2N3O, Mr = 424.31, crystallizes in the monoclinic space group P21/c with unit cell parameters a = 14.5402(6) ?, b = 12.5888(5) ?, c = 11.6510(5) ?, α = 90o, β = 100.183o(2), γ = 90o, V = 2099.05(15) ?3, Dx = 1.343 mg m−3 and Z = 4. The final R was 0.0514. The molecular conformation and packing is stabilized by interactions of intermolecular
O1–H1···N3′.
Index Abstract The structure of bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol by the reaction of compound
4 and Grignard regent is studied.
相似文献
5.
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
6.
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: |
7.
Hua Cao Hong-Bin Zhao Fu-Hui Zhou Jie-Pin Liu Yan-Li Liu 《Journal of chemical crystallography》2009,39(1):51-54
Abstract The crystal structure of the title compound, C64H70N4O4, has been determined by single crystal X-ray diffraction methods. The title compound crystallizes in the monoclinic space
group P2(1)/c with cell dimensions a = 13.8946(3) ?, b = 16.1069(3) ?, c = 12.1974(2) ?, β = 93.4050(10)°, Z = 2. The porphyrin core to be composed of four pyrrole rings linked through methane carbon bridges. Each molecule lies across
a crystallographic inversion center. The porphyrin core is planar, which facilitates π-electron delocalization. The inner
nitrogen H atoms are found localized on opposite pyrrole rings and these rings differ structurally from the other two pyrrole
rings. The imino H atoms form bifurcated intramolecular hydrogen bonds with the adjacent unprotonated N atoms due to the contract
porphyrin core.
Graphical Abstract The crystal structure of meso-tetrakis[4-(pentyloxy)phenyl]porphyrin is reported in this paper.
相似文献
8.
The metal complex, bis [2-(3-(2-((2-hydroxybenzylidene)amino)ethyl) oxazolidin-2-yl)phenol]cerium(IV) 1,4-dioxane monosolvate was synthesized and characterized by infrared, 1H NMR, elemental analysis, single-crystal, and powder X-ray diffraction. The coordination polyhedra of cerium shows a distorted square-antiprismatic geometry. No classical hydrogen bonds were observed. The crystal packing was influenced by weak C-H···O (intermolecular) and van der Waals interactions. 相似文献
9.
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
10.
Tuncay Tunç Musa Sarı Murat Sadıkoğlu Orhan Büyükgüngör 《Journal of chemical crystallography》2009,39(9):672-676
Abstract A new Schiff-base complex 2-{(E)-[2-hydroxyphenyl)imino]methyl}phenol has been synthesized and characterized by elemental analyses, UV–VIS and IR spectroscopy
and single crystal X-ray determination. The structure comprises two independent and similar molecules. The two independent
molecules in the asymmetric unit are hydrogen bonded and have different conformations. In each molecule, C13H11NO2, adopt an E configuration about the azomethine C–N double bond. The complex crystallized in the triclinic space group P-1.
Two benzene rings and azomethine group are practically coplanar, as a result of intramolecular hydrogen bonds involving the
hydroxy O atom and azomethine N atom. Also hydroxy group of the molecule is the presence intermolecular O–H···O hydrogen bonds
with the hydroxy group of the other molecule.
Index Abstract and Figure A new Schiff-base complex 2-{(E)-[2-hydroxyphenyl)imino]methyl}phenol has been synthesized and characterized by elemental analyses, UV–VIS and IR spectroscopy
and single crystal X-ray determination. The structure comprises two independent and similar molecules. The two independent
molecules in the asymmetric unit are hydrogen bonded and have different conformations. In each molecule, C13H11NO2, adopt
an E configuration about the azomethine C–N double bond. The complex crystallized in the triclinic space group P-1. Two benzene
rings and azomethine group are practically coplanar, as a result of intramolecular hydrogen bonds involving the hydroxy O
atom and azomethine N atom. Also hydroxy group of the molecule is the presence intermolecular O–H···O hydrogen bonds with
the hydroxy group of the other molecule.
相似文献
11.
Abstract A new complex, [H3teta][Mo(CN)8] · H2O, (teta = 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetra-azacyocloteradeca-4,11-diene), has been synthesized and characterized
by IR spectrum, element analysis and single crystal X-ray diffraction: monoclinic, space group P2(1)/c with a = 10.8553(8) ?, b = 12.4854(8) ?, c = 22.6348(15) ?, α = 90.00°, β = 97.3080(10)°, γ = 90.00°, Mr = 609.63, v = 3042.8(4), Z = 4. There are one [H3teta]3+, one [Mo(CN)8]3− and one water molecule in the asymmetric unit. The complex is interconnected through hydrogen bond and formed into a 3D porous
network.
Graphical Abstract A new complex, [H3teta][Mo(CN)8] · H2O, has been synthesized and characterized by IR spectrum, element analysis and single crystal X-ray diffraction. And it shows
a 3D porous network through hydrogen bonds.
相似文献
12.
由过渡金属Cu(Ⅱ)、苯妥英(Hpht)与苄胺(ba)反应,得到一种新型双核铜配合物[Cu(pht)_2(ba)_2]_2,通过元素分析、摩尔电导、红外光谱、X-射线单晶衍射等对配合物的结构进行了解析和表征.结果表明:该晶体属三斜晶系,空间群为P_1~-,晶胞参数:a=1.0554(15) nm,b=1.201(17) nm,c=1.489(2) nm,α=93.24(2) °,β=102.14(2) °,γ=91.79(2) °,V=1.840(5) nm~3,F(000)=814,Z=1,Dc=1.408 g·cm~(-3),μ=0.648 mm~(-1),R_1=0.0973, wR_2=0.1929.配合物分子中每个Cu(II)离子以N4O1的五配位形式位于变形的三角双锥构型中.利用琼脂扩散法测试了该配合物的抑菌活性,结果表明对4种受试细菌均有一定的活性. 相似文献
13.
Hai-Liang Zhu Su-Yue Li Zhen-Dong Wang Feng Yang 《Journal of chemical crystallography》2004,34(3):203-206
The title compound is [CuL(H2O)]Cl, C11H18N3ClO2Cu, where L is N-(2-hydro- xyphenylmethenylimino)-1,5-diamine-3-azapentane. In the cation the metal atom is coordinated by three N and two O atoms from L and a water molecule in a distorted square-pyramidal geometry. 相似文献
14.
Hua Fang Mei Juan Fang Rui Zao Yi Yu Fen Zhao 《Journal of chemical crystallography》2008,38(10):761-764
Abstract The title compound, C14H23O5P, was synthesized by the reaction of 4-methoxybenzaldehyde and diisopropyl phosphite. Its structure was determined with X-ray
crystallographic, NMR, MS, and elemental analysis (EA) techniques. The crystal belongs to monoclinic, space group P 21/n with the following crystallographic parameters: a = 10.529 (2) ?, b = 8.424 (2) ?, c = 19.448 (4) ?, α = 90°, β = 105.2 (3)°, γ = 90°, μ = 0.180 mm−1, V = 1664.1 (6) ?3, Z = 4, Dx = 1.207 mg/mm3, F (000) = 648, T = 293 (2) K, 2.00° ≤ θ ≤ 25.50°. The final residual factor is 0.049 for 1933 reflections with I > 2σ (I). Crystal packing is stabilized by interatomic hydrogen bond interactions between the doubly bonded phosphoryl O atom and
the hydroxyl H atom which link the molecules into chains along the [011] plane of the unit cell.
Index Abstract The title compound, diisopropyl hydroxy(4-methoxyphenyl)methylphosphonate, was synthesized by the reaction of 4-methoxybenzaldehyde
and diisopropyl phosphite. Its structure was determined with X-ray crystallographic, NMR, MS, and elemental analysis (EA)
techniques. Crystal packing is stabilized by interatomic hydrogen bond interactions between the doubly bonded phosphoryl O
atom and the hydroxyl H atom which link the molecules into chains along the [011] plane of the unit cell.
相似文献
15.
合成制备了N-[[5-[[(1,4-二氢-2-甲基-4-氧-6-喹唑啉基)甲基]甲氨基]-2-噻吩基]羰基]-L-谷氨酸的一水合甲醇溶剂合物(C21H22N4O6S·CH3OH·H2O(化合物1)的晶体,通过单晶X射线衍射,红外,热重分析表征.分析其含有一个结晶水和一分子甲醇溶剂,晶胞参数为a=7.9730(16)nm,b=13.558(3)nm,c=11.412(2)nm,α=90°,β=91.12(3)°,γ=90°.采用Hirshfeld表面分析方法对分子间作用力分析.Hirshfeld表明作用分析得到的二维指纹图显示,其中O…H,N…H,C…H,S…H的作用力要强与C…O,C…N作用力,其中H…H作用力明显. 相似文献
16.
Xiao-Ping Rao Yong Wu Zhan-Qian Song Shi-Bin Shang 《Journal of chemical crystallography》2009,39(7):500-503
Abstract The title compound (C23H26O3, M
r
= 350.44) has been synthesized under microwave irradiation. Its structure was characterized by IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. The title crystal is in the monoclinic system, space group C with cell dimensions of a = 6.0500(12) ?, b = 19.693(4) ?, c = 16.386(3) ?, β = 97.85(3)o, V = 1,934.0(7) ?3, Z = 4, D
c
= 1.204 g/cm3, λ = 0.71073 ?, μ = 0.08 mm−1, F
(000) = 752, the final R = 0.065 and wR = 0.165 for 1,992 observed reflections with I > 2σ(I). In the molecular structure, the pyran ring is of boat conformation, and the two-six-membered rings fused with it adopt
envelope conformations.
Index Abstract The title compound (C23H26O3, M
r
= 350.44) has been synthesized under microwave irradiation. Its structure was characterized by IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. The title crystal is in the monoclinic system, space group P21/C with cell dimensions of a = 6.0500(12) ?, b = 19.693(4) ?, c = 16.386(3) ?, β = 97.85(3)o, V = 1934.0(7) ?3, Z = 4, D
c
= 1.204 g/cm3, λ = 0.71073 ?, μ = 0.08 mm–1, F
(000) = 752, the final R = 0.065 and wR = 0.165 for 1,992 observed reflections with I > 2σ(I). In the molecular structure, the pyran ring is of boat conformation, and the two six-membered rings fused with it adopt
envelope conformations.
相似文献
17.
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
18.
Prakash S. Nayak Sumati Anthal Vivek K. Gupta Rajni Kant H. S. Yathirajan 《Molecular Crystals and Liquid Crystals》2014,592(1):249-258
4-[(3-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid (1) is synthesized by a ring opening reaction of itaconic anhydride with 3-aminoacetophenone and characterized by FT-IR, 1H NMR, UV-Vis, TGA, DTA, and single crystal X-ray diffraction. The crystal of 1 belongs to triclinic unit cell in the P-1 space group with the unit cell dimensions a = 4.9485(3), b = 5.3614(6), c = 22.457(2) Å, α = 88.295(8), β = 89.379(7), γ = 84.495(7), and Z = 2 The crystal structure is 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 0.0467 for 1623 observed reflections. Intermolecular N&;sbnd;H?…O and O&;sbnd;H?…O hydrogen bonds links the molecules into chains along [010] direction. In addition the thermal stability of the 1 is determined by using DTA, TGA analysis, and wavelength absorption at λmax = 297 nm is determined by UV-Vis spectrophotometer. 相似文献
19.
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
20.
Jian Li Zu-Pei Liang Cheng-Yun Wang Xi-Shi Tai 《Journal of chemical crystallography》2009,39(9):638-641
Abstract The title compound N-(2,3,4-trimethoxy-6-methylbenzylidene)-2-methyl-benzenamine (C18H21NO3, M
r = 299.36) was synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. The crystal
belongs to monoclinic, space group P21/n, with a = 7.2804(5), b = 8.5909(9), c = 26.117(3) ?, β = 92.056(2)°, V = 1,632.4(3) ?3, Z = 4, D
c = 1.218 g cm−3, λ = 0.71073 ?, μ(Mo Kα) = 0.083 mm−1, F(000) = 640. The final refinement gave R = 0.0497, wR(F
2) = 0.1157 for 2,879 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the dihedral angle between the two phenyl rings is 25.9 (2)°. The molecule adopts
a trans configuration about the central C=N functional bond. The crystal structure is stabilized by C–H…O hydrogen bonds and π–π stacking interactions. The title compound possesses moderate antibacterial activity.
Graphical Abstract The title compound N-(2,3,4-trimethoxy-6-methylbenzylidene)-2-methyl-benzenamine (C18H21NO3, M
r = 299.36) was synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. The crystal
belongs to monoclinic, space group P21/n, with a = 7.2804(5), b = 8.5909(9), c = 26.117(3) ?, β = 92.056(2)°, V = 1,632.4(3) ?3, Z = 4, D
c = 1.218 g cm−3, λ = 0.71073 ?, μ(Mo Kα) = 0.083 mm−1, F(000) = 640. The final refinement gave R = 0.0497, wR(F
2) = 0.1157 for 2,879 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the dihedral angle between the two phenyl rings is 25.9 (2)°. The molecule adopts
a trans configuration about the central C=N functional bond. The crystal structure is stabilized by C–H…O hydrogen bonds and π–π stacking interactions. The title compound possesses moderate antibacterial activity.
相似文献