共查询到20条相似文献,搜索用时 15 毫秒
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Aliakbar Dehno Khalaji Karla Fejfarova Michal Dusek Alireza Najafi Chermahini 《Journal of chemical crystallography》2012,42(2):136-140
Abstract
Schiff-base compound 2-{[4-(Phenyldiazenyl)phenyl]iminomethyl}-5-bromo phenol (1), containing an azo group was synthesized from the reaction of p-aminoazobenzene with 5-bromosalicylaldehyde and characterized by elemental analyses, FT-IR spectroscopy and X-ray single-crystal diffraction analysis. Molecular orbital calculation has been carried out using density functional method (B3LYP) at 6-31G basis set. Compound 1 crystallizes in the orthorhombic system, space group Pca21, with a = 12.1781(2) ?, b = 4.4894(10) ?, c = 27.7841(5) ?, V = 1519.02(5) ?3, and Z = 4. Compound 1 displays a trans configuration with respect to the C=N and N=N double bonds. 相似文献2.
Yu. M. Chumakov V. I. Tsapkov G. Bocelli B. Ya. Antosyak A. P. Gulea 《Crystallography Reports》2007,52(2):260-265
The crystal structures of bis{4-bromo-2-[(2-hydroxyethylimino)methyl]phenolato}copper (I) and bis{4-chloro-2-[(2-hydroxyethylimino)methyl]phenolato}copper (II) are determined. Crystals I are monoclinic, space group P21/c, Z = 2, and R = 0.0732 (for all reflections). Crystals II are likewise monoclinic, space group P21/n, Z = 2, and R = 0.1106. In the structures of compounds I and II, the metal atom is situated at the center of symmetry and coordinated by two singly deprotonated bidentate 4-bromo-or 4-chloro-2-[(2-hydroxyethylimino)methylphenol molecules, respectively, through phenol oxygen and azomethine nitrogen atoms, which form a distorted planar square. In the structures of compound II, the coordination polyhedron of the central atom is completed to an elongated tetragonal bipyramid by the amino alcohol oxygen atoms of the adjacent complexes. 相似文献
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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
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Abstract 3-[(Naphthalen-2-yl) methyl]isocoumarin was synthesized by the reaction of homophthalic acid with 2-(naphthalen-2-yl)acetyl
chloride at elevated temperature and its crystal structure has been determined (C20H14O2), Mr = 286.31, a = 13.704(3), b = 7.356(4), c = 7.042(7) ?, β = 99.21(3)°, space group Pc, Z = 2, and V = 700.7(8) ?3. The isocoumarin and the naphthalene ring systems are individually planar and the dihedral angle between the mean planes
of these two ring systems is 70.05(8)°.
Graphical Abstract Synthesis and crystal structure of 3-[(Naphthalen-2-yl)methyl]isocoumarin
Aamer Saeed, Junmei Liang, Masood Parvez
The synthesis and crystal structure of a novel isocoumarin, 3-[(naphthalen-2-yl)methyl]isocoumarin has been presented.
相似文献
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Suo-Ping Xu Peng-Cheng Lv Rui-Qin Fang Lei Shi Hai-Liang Zhu 《Journal of chemical crystallography》2009,39(12):931-934
Abstract
One new complex, 2,4-Diiodo-6-[(2-morpholin-4-yl-ethylimino)- methyl]- phenolato-zinc(II) has been designed and synthesized. The structure was determined by UV, IR and single X-ray crystallography study. The title complex C26H30O4N4I4Zn crystallizes in the triclinic space group P − 1 with the cell parameters a = 9.938(2) ?, b = 11.937(2) ?, c = 14.527(3) ?, α = 87.14(3)°, β = 79.03(3)°, γ = 76.20(3)°, V = 1565.1(5) ?3 and Z = 2. The central zinc(II) is four coordinate and bonds to two nitrogen atoms and two oxygen atoms from two 3,5-diiodosalicylaldehyde-2- morpholinoethylamine Schiff bases. The complex is linked into a column by weak intermolecular interactions. 相似文献9.
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Crystallography Reports - By following one-pot synthesis, an acridinediones derivative compound 3,3,6,6-tetramethyl-9-(4-methoxyphenyl)-10-(4-chlorophenyl)-1,8-dioxodecahydroacridine dimethyl... 相似文献
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Brown block-shaped crystals of bis{2-methoxy-6-[(2-diethylaminoethylimino)methyl]phenolato}thiocyanatocobalt(III) perchlorate,
the first cobalt(III) complex derived from the Schiff base ligand HL, [CoIII(L)(HL)(NCS)].ClO4 (HL=2-methoxy-6-[(2-diethylaminoethylimino)methyl]phenol) have been obtained and characterized by elemental analysis and
X-ray single crystal determination. The complex crystallizes in the monoclinic space group P21/c with unit cell dimensions a=16.087(3) ?, b=12.354(3) ?, c=16.762(3) ?, β=93.77(3)°, V=3324.1(12) ?3, Z=4, R
1=0.0741 and wR2=0.1366. X-ray structure determination revealed that the complex consists of a [CoIII(L)(HL)(NCS)]+ cation and a disordered perchlorate anion. The Co atom in the cation is six-coordinate in an octahedral coordination. In
the crystal structure, the perchlorate anions are linked to the cations through intermolecular C–H⋯O hydrogen bonds, forming
zigzag chains running along the caxis. It is the first cobalt(III) complex derived from the Schiff base ligand HL. 相似文献
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Dušanka Radanović Goran Kaluđerović Santiago Gómez-Ruiz Dušan Sladić Maja Šumar-Ristović Ilija Brčeski Katarina Anđelković 《Journal of chemical crystallography》2009,39(2):138-142
Abstract In an attempt to synthesize a Cr(III) complex of 2′-[1-(2-pyridinyl)ethylidene]oxamohydrazide an azine product 2-{1-[(1-(2-pyridinio)ethylidene)hydrazono]ethyl}pyridinium
diperchlorate was obtained by an electrophilic acyl substitution catalyzed by Cr(III). Its structure was determined by X-ray
crystal analysis and showed significant changes in comparison to the corresponding unprotonated compound. The 2-{1-[(1-(2-pyridinio)ethylidene)hydrazono]ethyl}pyridinium
diperchlorate crystallizes in the space group P21/n of the monoclinic crystal system with unit cell parameters a = 14.3809(3) ?, b = 24.1516(5) ?, c = 15.4471(3) ?, β = 99.930(2)°, V = 5284.74(19) ?3 and Z = 12, i.e. three molecules per asymmetric unit.
Graphical Abstract In the template condensation of the 2′-[1-(2-pyridinyl)ethylidene]oxamohydrazide in presence of the chromium(III) ion the
2-{1-[(1-(2-pyridinio)ethylidene)hydrazono]ethyl}pyridinium diperchlorate was obtained and characterized by NMR spectroscopy
and X-ray crystallography.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
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Yu. M. Chumakov V. I. Tsapkov B. Ya. Antosyak L. G. Popovschi G. Bocelli A. P. Guly S. A. Palomares-Sanchez 《Crystallography Reports》2012,57(2):235-240
Nitrato-4-bromo-2-[(2-hydroxyethylimino)methyl]phenolatoimidazolecopper and nitrato-4-chloro-2-[(2-hydroxyethylimino)methyl]phenolatoimidazolecopper
were synthesized and studied by X-ray diffraction. The crystals are isostructural. The coordination polyhedron of the copper
atom can be described as a distorted square pyramid whose basal plane is formed by the phenolic and alcoholic oxygen atoms
and the nitrogen atom of the monodeprotonated tridentate azomethine molecule and the imidazole nitrogen atom. The apex of
the copper polyhedron is occupied by the oxygen atom of the nitrato group. The complexes are linked together by hydrogen bonds
with the participation of the nitrato groups to form a three-dimensional framework. 相似文献
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S. A. Nikolaevskii M. A. Kiskin Yu. V. Koshchienko A. S. Burlov A. G. Starikov I. L. Eremenko 《Crystallography Reports》2013,58(3):437-441
The structures of Schiff bases prepared by the condensation of 2-tosylaminobenzaldehyde with 2-alkylamino-5-nitroanilines were studied by X-ray diffraction. The intramolecular N-H…N hydrogen bonds result in the closure of six-membered hydrogen-bonded rings, which are either planar or nonplanar depending on the substituent. According to the results of quantum-chemical calculations, the distortion of the hydrogen-bonded ring is associated with the character of molecular packing in the crystal. 相似文献
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利用2-[(2-羟基-3-甲氧基)苄亚甲基氨基]苯甲酸(H2L)作为配体,以Dy(NO3)3·6H2O和Ni(CH3COO)2·4H2O为金属盐,通过水热法,合成了一种新的异金属五核簇[Dy2Ni3(C15H11NO4)2(NO3)4(Ac)2(OH)2(CH3CN)4(CH3OH)2]配合物1.单晶X射线衍射结果表明,配合物1属于三斜晶系,P-1空间群,晶胞参数a=1.0978(6)nm,b=1.2057(7)nm,c=1.2144(7)nm,α=103.571(7)°,β=90.062(7)°,γ=103.439(8)°,V=1.5171(14)nm3,Z=1.通过元素分析等方法对配合物1进行结构表征,并对其进行磁性测试.直流磁化率(DC)研究结果表明,配合物1具有微弱的铁磁性质,而交流磁化率(AC)并没有出现依赖于外场频率变化极值的现象表明该配合物在零场下不具有较为明显的单分子磁行为. 相似文献
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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