共查询到20条相似文献,搜索用时 31 毫秒
1.
Abstract Reaction between p-aminobenzoic acid (HpABA) and Cu(NO3)2 · 2.5H2O in basic MeOH/DMF affords green crystals of the dicopper paddlewheel complex, Cu2(pABA)4(DMF)2 · 2DMF, 1, identified by single crystal X-ray crystallography: triclinic P-1, with a = 10.3728(2) ?, b = 10.617(2) ?, c = 11.128(2) ?, α = 81.705(3)°, β = 79.984(2)°, γ = 65.965(2)° and Z = 2. The crystal structure of 1 reveals that it is the second polymorph of Cu2(pABA)4(DMF)2 · 2DMF and experiments on the stability of 1 indicate that it can be converted to Form I through desolvation followed by exposure to DMF.
Graphical Abstract Crystal structure of a polymorphic discrete dicoppertetracarboxylate is investigated for the conversion between the two forms
influenced by hydrogen bonds.
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2.
Azizollah Habibi Mohammad R. Yazdanbakhsh Leyla Mousavifar 《Journal of chemical crystallography》2008,38(9):701-704
Abstract The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been determined. The title compound crystallized in the orthorhombic space group pbca with cell parameters, a = 10.6556(6) ?, b = 18.0132(11) ?, c = 19.5513(12) ?, v = 3752.7(4) ?3, Z = 8, D
cal = 1.269 Mg/m3 at T = 120 K. The structure refined by full-matrix least-squares procedures to find R
1 = 0.0463 and wR
2 = 0.0937 for 3059 reflections. The soxazole ring isn’t coplanar with the phenyl ring.
Index Abstract The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been studied.
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3.
Juahir Yusnita Subramaniam Puvaneswary Mahmood Ameen Abdulla Ward T. Robinson Hapipah Mohd Ali 《Journal of chemical crystallography》2009,39(9):615-618
Abstract 2,6-Diacetylpyridinebis(benzenesulfonylhydrazide) (2,6-DAPBSH) and its zinc(II) complex have been synthesized and characterized
by X-ray crystallography. The ligand crystallizes in the monoclinic crystal system, space group Cc, with cell parameter = 16.808(2) Ǻ, b = 16.328(2) Ǻ, c = 8.2670(11) Ǻ, β = 91.869(9)°, while the zinc(II) complex crystallizes in the orthorhombic crystal system, space group Pbcn, with cell parameters a = 14.5927(3) Ǻ, b = 9.6502(2) Ǻ, c = 20.5610(5) Ǻ. The metal center is seven-coordinate, with an approximate pentagonal bipyramidal configuration of the chelating
ligand and two apically coordinated DMSO molecules.
Graphical Abstract X-ray crystallographic study on the [2,6-diacetylpyridine—bis(benzenesulfonylhydrazonato-κ5
N′N′′N′′′O′O′′)]bis(dimethyl sulfoxide-κO)zinc(II) (Fig. 1) shows that the complex is a seven-coordinate, with an approximate pentagonal
bipyramidal configuration where the ligand coordinates to the zinc(II) ion as a pentadentate chelate via the pyridine nitrogen
atom, the two azomethine nitrogen atoms and the two sulfonyl oxygen atoms.
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4.
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.
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5.
Jin-Min Li 《Journal of chemical crystallography》2009,39(2):143-146
Abstract Hydrated cadmium perchlorate reacted with sodium azide and 2,2′-bypyridine-3,3′-diol (H2L) in ethanol solution and resulted in the formation of a two-dimensional coordination polymer: [Cd(μ-N3)(μ-HL)(H2O)]n. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray
crystallography and the complex crystallizes in the monoclinic system with space group P21/c and a = 7.2849(14), b = 9.9568(19), c = 17.058(3) Ǻ, β = 102.254(2)°. In the complex both azide anion and monodepronated 2,2′-bypyridine-3,3′-diol anion (HL) act as bridge ligands
and led to the formation of a two-dimensional sheet structure on (100) plane, and the O–H⋯N hydrogen bond made the sheets
pile up along [100] direction, which forms a supramolecular three-dimensional structure.
Graphical Abstract The title two-dimensional Cd(II) coordination polymer was synthesized by cadmium perchlorate, sodium azide and 2,2′-bypyridine-3,3′-diol
and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that the two-dimensional coordination
polymer was fabricated with azide anion and monodeprotonated 2,2′-bypyridine-3,3′-diol as mixed bridge ligands.
相似文献
6.
Jin-Min Li 《Journal of chemical crystallography》2009,39(2):128-130
Abstract Hydrated zinc perchlorate reacted with sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone (L) in methanol solution and
resulted in the formation of a new binuclear complex: [Zn2(μ-N3)2(N3)2(L)2]. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray
crystallography and the complex crystallizes in the monoclinic system with space group P21/c and a = 11.409(2), b = 8.0733(15), c = 18.163(3) Ǻ, β = 99.095(3)°. In the complex two azide anions act as bridge ligand and another two azide anion and two 1-(1,10-phenanthrolin-2-yl)-2-pyridone
function as terminal ligands, and Zn(II) ion lies in a distorted triangle bipyramid geometry.
Index Abstract The title binuclear Zn(II) complex was synthesized by zinc perchlorate, sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone
and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that azide anion function as both
bridge ligand and terminal ligand, and 1-(1,10-phenanthrolin-2-yl)-2-pyridone only acts as a terminal ligand. 相似文献
7.
Abstract Bis(isothiocyanato)-bis(pyridine) zinc(II) crystal has been prepared at room temperature and characterized by elemental analysis,
IR spectrum and X-ray single crystal determination. The complex crystallizes in monoclinic space group P21/m with unit cell parameters: a = 5.5786(3), b = 11.0587(5), c = 12.1616(6) ?, β = 96.776(3)°, V = 745.03(6) ?3, Z = 2, D
x
= 1.514 g cm−3. The X-ray structure determination has revealed that the crystal is centered-symmetrical and the crystallographic symmetry
face runs the two isothiocyanate ligands and the Zn(II) cation.
Index Abstract The title compound, bis(isothiocyanato)-bis(pyridine) zinc(II), was synthesized by zinc compound, KSCN and C5H5N (pyridine) and its crystal structure was determined. Single crystal X-ray structure determination reveals that the crystal
is centered-symmetrical, and the crystallographic symmetry face runs the two isothiocyanate ligands and the Zn(II) cation.
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8.
Perla Cruz-Mondragón M. Concepción Lozada Benjamín Ortiz Raúl G. Enríquez Manuel Soriano-García 《Journal of chemical crystallography》2009,39(7):474-477
Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2), C21H30O2, was synthesized from grandiflorenic acid, isolated from the plant Montanoa tomentosa. Compound (2) was formerly described as an oily derivative. X-ray diffraction analysis of (2) demonstrated that it consists
of four rings, three six-membered rings (I, II and III) and one five-membered ring (IV). I, II and III rings occur in chair,
twist, and envelope conformations, respectively. Ring IV occurs in a conformation between envelope and half-chair. The crystal
of grandiflorenic acid methyl ester is in monoclinic crystal system with space group P21, lattice constants: a = 7.2170(10), b = 11.4170(10), c = 11.2850(10) ?, β = 98.700(10)°, V = 919.1(2) ?3 and Z = 2.
Index Abstract Grandiflorenic acid [(−)-kaura-9(11)-16-dien-19-oic acid] methyl ester (2) was synthesized. This compound was formerly considered as an oily derivative. The crystal structure of (2) was obtained by determination of X-ray diffraction from suitable single crystals.
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9.
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
10.
K. Padayachy M. A. Fernandes H. M. Marques A. S. de Sousa 《Journal of chemical crystallography》2008,38(8):577-582
Abstract The title compound N,N′-bis(p-tolylsulfonyl)diethylenetriamine (1) was synthesized and its crystal structure determined by X-ray diffraction. Adjacent molecules of 1, symmetrically related through a c-glide, are linked by alternating hydrogen bonds that form molecular chains along [0 0 1]. Two molecular chains occur in each
unit cell and pack to form alternating layers in a three-dimensional supramolecular structure. The compound crystallizes in
the Pca21 space group stabilized by the inclusion of solvent dichloromethane molecules in structural voids between molecules of 1. The dichloromethane molecules are related through a twofold screw rotation axis and are not disordered.
Index Abstract Intermolecular hydrogen bonds involving sulfonamide moieties of title compound afford a supramoleular structure that accommodates
the inclusion of dichloromethane in alternating layers.
相似文献
11.
Vivek K. Gupta Shaveta Mahajan Naresh K. Satti Krishan A. Suri G. N. Qazi 《Journal of chemical crystallography》2008,38(10):769-773
Abstract (20R,22R)-6α,7α-Epoxy-5α,27-dihydroxy-1-oxowitha-2,24-dienolide (27-hydroxy-withanolide B) was isolated from Withania somnifera. The structure of the withanolide was established by spectral analysis and X-ray diffraction studies. The compound crystallizes
in the orthorhombic space group P212121 with unit cell parameters: a = 9.2163(3), b = 11.1828(4), c = 23.6146(9) ?, Z = 4. The crystal structure was refined to R = 0.0495 for 3,284 observed reflections. All the rings of the steroid skeleton are trans connected. Rings A and B exist in
a half-chair conformation, ring C a chair, and five membered ring D is intermediate between a half-chair and an envelope.
The δ-lactone ring E adopts a distorted sofa conformation. The twist along the length of the steroid nucleus is −6.5°. The
characteristic pattern observed in the packing diagram is the appearance of twisted chains of molecules packed together to
form layers.
Index Abstract Isolation and crystal structure analysis of (20R,22R)-6α,7α-epoxy-5α,27-dihydroxy-1-oxowitha-2,24-dienolide.
相似文献
12.
Eric W. Reinheimer Marc Fourmigué Kim R. Dunbar 《Journal of chemical crystallography》2009,39(10):735-739
Abstract The synthesis and crystal structure of the organic radical-cation salt (o-Me2TTF)I3 is described. The salt crystallizes in the monoclinic space group P2
1
/n with a = 10.927(2) ?, b = 11.904(2) ?, c = 12.660(2) ?, β = 115.174(5)°. The bond length of the central C=C bond in o-Me2TTF is 1.401(1) ?, indicating an approximate oxidation state of +1 for the o-Me2TTF radical cation.
Graphical Abstract The X-ray crystallographic structure of the radical cation salt (o-Me2TTF)I3 has been determined and its structural properties and synthetic preparation are discussed.
相似文献
13.
Xiucun Liu Xiaoling Guo Yunyin Niu Qingli Wang Qian Cui Hongwei Hou Xiaorui Lv Seikweng Ng 《Journal of chemical crystallography》2009,39(2):147-150
Abstract In this paper, solution reaction of cadmium iodide with organic multifunctional
ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene generated a 1D polymer [CdI2 (bbmb).
(DMF) (CH3CN)]n
1, and the crystal
structure has been determined (C27H28CdI2N6O),
Mr = 818.75, a = 14.929(1) ?, b = 17.381(2) ?,
c = 15.850(1) ?, β = 114.8190(10)°, space group
C2/c, Z = 4, and V = 3733.3(6) ?3. In 1 the tetrahedral coordination of
Cd(II) and the conformation of the bbmb ligand make it a wave-shaped structure.
Graphical Abstract Synthesis and structure of a CdI2 coordination polymer with 1,4-bis(benzimidazole-1-yl-methylene)benzene(bbmb) Xiucun Liu, Xiaoling Guo, Yunyin Niu, Qingli Wang, Qian Cui, Hongwei Hou, Xiaorui Lv, SeikWeng Ng Solution reaction of cadmium iodide with organic multifunctional ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene (bbmb) generated a 1D polymer [CdI2 (bbmb) (DMF)(CH3CN)]n, in which the tetrahedral coordination of Cd(II) and the conformation of bbmb ligand make it a wave-shaped structure.相似文献
14.
Noor Shahina Begum D. E. Vasundhara C. R. Girija M. Narendra Mallya Gopalpur Nagendrappa 《Journal of chemical crystallography》2008,38(7):547-551
Abstract The crystal and molecular structure of cis-1-chloro-2-amino-1-trimethylsilylcycloheptane picrate (cis-CATP) is determined and discussed along with its spectroscopy. The crystal structure of this compound (C10H23SiClN+ C6H2N3O7−) consists of ammonium cycloheptane cation and picrate anion stabilized by interionic N–H···O and C–H···O interactions leading
to extended hydrogen bonded network structure. Apart from the less common syn addition of nitrosylchloride to 1-trimethylsilylcycloheptene ring, an interesting and unexpected reversal of regiochemistry
of addition is revealed.
Index Abstract The preparation of cis-1-chloro-2-ammonium-1-trimethylsilylcycloheptane picrate is described and its crystal structure is determined and discussed.
相似文献
15.
Christoph E. Strasser William F. Gabrielli Oliver Schuster Stefan D. Nogai Stephanie Cronje Helgard G. Raubenheimer 《Journal of chemical crystallography》2009,39(7):478-483
Abstract Two crystal structures of tris(azolyl)phosphines, PR3 [R′ = 1-methylimidazol-2-yl (1) or R′′ = 4-methylthiazol-2-yl (2)], and the crystal structure of the sulfurisation product of 2, R′′3PS (3), were determined. All compounds crystallise in polar space groups, 1 in the orthorhombic space group Pna21 with cell parameters a = 13.9779(15) ?, b = 9.2492(10) ? and c = 10.2439(11) ?; 2 in the trigonal space group, R3c, with a = 15.2383(10) ? and c = 10.5882(13) ? and 3 in the orthorhombic space group, Cmc21, with a = 13.466(3) ?, b = 9.308(2) ? and c = 12.207(3) ?.
Graphical Abstract This article presents two crystal structures of tris(azolyl)phosphines and one of a tris(thiazolyl)phosphine sulfide, a compound
which show potential for wide application in coordination chemistry due to their multidentate nature.
相似文献
16.
Jin Cai Wen Zhou Junqing Chen Min Sun Min Ji 《Journal of chemical crystallography》2009,39(2):108-111
Abstract Isosteviol derivative: benzoyloxymethyl (4α,8β,13β)-13-methyl-16-oxo-17-norkauran-18-carbonate ester was synthesized by esterification
of isosteviol with chloromethyl benzoate and its crystal structure was determined by X-ray diffraction method. The compound
crystallizes in the triclinic space group P1 with unit cell parameters: a = 8.784(3) ?, b = 9.079(3) ?, c = 15.950(6) ?, α = 79.343(6)°,
β = 79.061(5)°, γ = 89.849(5)°, Z= 2. The conformation of rings A and B is chair, whereas the conformation of ring C is unsymmetrical twist chair. The carbonyl group at the C20 is coplanar with the benzene ring. The fragment of the ester group occupying the pseudoaxial
site of C1 position adopts a zigzag conformation.
Index Abstract Isosteviol derivative: benzoyloxymethyl (4α,8β,13β)-13-methyl-16-oxo-17-norkauran -18-carbonate ester was synthesized and
its crystal structure was determined by X-ray diffraction method.
相似文献
17.
Heng-Shan Dong Yan-Fei Wang Hong-Ru Dong Bin Wang Bin Quan 《Journal of chemical crystallography》2009,39(2):91-94
Abstract The N,N′-bis[1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]hydrazide 6 was synthesized from aryl triazole acids and its structure is established by MS, IR, and 1H NMR spectral data. Compound 6, C22H22N8O4, Mr = 462.48, crystallizes in the monoclinic space group P2(1)/c with unit cell parameters a = 15.3451(8), b = 8.6486(4),
c = 16.8502(9) ?, α = 90.00, β = 95.731(2), γ = 90.00o, V = 2225.1(2) ?3, Z = 4, and Dx = 1.381 mg m−3. The final R was 0.0450. The four aromatic rings are close to linear because of N···H–N hydrogen bonds.
Index Abstract Synthesis and crystal structures of N,N′-bis[1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]hydrazide
Heng-Shan Dong, Yan-Fei, Wang, Hong-Ru Dong, Bin, Wang, Bin Quan
N,N′-Bis[1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]hydrazide was synthesized.
相似文献
18.
Uzma Habib Amin Badshah Ulrich Flörke Rizwana Aleem Qureshi Bushra Mirza Nazar-ul-Islam Azeem Khan 《Journal of chemical crystallography》2009,39(8):607-611
Abstract The title copper (II) complex with Trimethoprim was prepared at 20–25 °C and its crystal structure was determined by single
crystal X-ray diffraction. Compound (C36H50Cu3N8O16) is triclinic, space group P-1 with a = 6.4642(5) ?, b = 12.5495(9) ?, c = 13.4911(10) ?, α = 77.518(1)°, β = 85.326(1)°, γ = 84.413(2)°, Z = 1. In this compound, three copper atoms are bonded to each other, two terminal coppers are bonded to three oxygen atoms
and N1 of pyrimidine ring of Trimethoprim and central copper is bonded to four oxygen atoms. The amino nitrogen atoms are not involved
in the coordination to the metal.
Graphical Abstract To enhance the activity of trimethoprim, its derivative was prepared and there bacterial activity against several bacteria
was analyzed.
相似文献
19.
S. G. Bubbly S. B. Gudennavar Babu Verghese Dhanya Viswam C. Sudarsanakumar 《Journal of chemical crystallography》2008,38(8):641-644
Abstract The synthesis and crystal structure of 1,7-bis(4-chlorophenyl)-4-(1,3-dithiolan-2-ylidene)-1,6-heptadiene-3,5-dione is described.
This compound is a curcuminoid analogue, configurationally symmetric about the C4–C5 atoms and also retains the two fold axis
in the crystal phase. This compound crystallizes in the space group C2/c with unit cell parameters a = 19.203(1) ?, b = 13.147(1) ?, c = 8.801(1) ?, β = 112.99(1)°, with half a molecule in the asymmetric unit. The ketenedithioacetal functionality present between
the carbonyl groups prevents the possibility of keto-enol tautomerization in this compound. The push-pull nature of the ketenedithioacetal
functionality organizes the cinnamoyl groups parallel to each other.
Index Abstract The details regarding synthesis and crystal structure of the title compound which is a curcuminoid analogue is reported in
this paper.
相似文献
20.
Shun-Liu Deng Sa Li Rong-Bin Huang Lan-Sun Zheng 《Journal of chemical crystallography》2008,38(9):679-683
Abstract The title compound was prepared from the reaction of perchloroacenaphthylene with an excess of sodium salt of 4-methyloxythiophenol
in toluene/ethanol (1:1) solvent and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes
in the Monoclinic space group P2(1) with the parameters: a = 10.351(1) ?, b = 20.453(3) ?, c = 12.1837(16) ?, β = 105.584(3)°, V = 2484.5(6) ?3, with Z = 2 formula units.
Graphical Abstract
The title compound 4,7-dichloro-1,2,3,5,6,8-hexakis-(4-methoxy-phenylsulfanyl)-acenaphthylene was synthesized from perchloroacenaphthylene C
12
Cl
8
with an excess of 4-methoxybenzene thiolate in toluene/ethanol (1:1)
. 相似文献