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991.
Carlos A. Escobar Oscar Donoso‐Tauda Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o426-o430
The 1,5‐benzodiazepine ring system exhibits a puckered boat‐like conformation for all four title compounds [4‐(2‐hydroxyphenyl)‐2‐phenyl‐2,3‐dihydro‐1H‐1,5‐benzodiazepine, C21H18N2O, (I), 2‐(2,3‐dimethoxyphenyl)‐4‐(2‐hydroxyphenyl)‐2,3‐dihydro‐1H‐1,5‐benzodiazepine, C23H22N2O3, (II), 2‐(3,4‐dimethoxyphenyl)‐4‐(2‐hydroxyphenyl)‐2,3‐dihydro‐1H‐1,5‐benzodiazepine, C23H22N2O3, (III), and 2‐(2,5‐dimethoxyphenyl)‐4‐(2‐hydroxyphenyl)‐2,3‐dihydro‐1H‐1,5‐benzodiazepine, C23H22N2O3, (IV)]. The stereochemical correlation of the two C6 aromatic groups with respect to the benzodiazepine ring system is pseudo‐equatorial–equatorial for compounds (I) (the phenyl group), (II) (the 2,3‐dimethoxyphenyl group) and (III) (the 3,4‐dimethoxyphenyl group), while for (IV) (the 2,5‐dimethoxyphenyl group) the system is pseudo‐axial–equatorial. An intramolecular hydrogen bond between the hydroxyl OH group and a benzodiazepine N atom is present for all four compounds and defines a six‐membered ring, whose geometry is constant across the series. Although the molecular structures are similar, the supramolecular packing is different; compounds (I) and (IV) form chains, while (II) forms dimeric units and (III) displays a layered structure. The packing seems to depend on at least two factors: (i) the nature of the atoms defining the hydrogen bond and (ii) the number of intermolecular interactions of the types O—H...O, N—H...O, N—H...π(arene) or C—H...π(arene). 相似文献
992.
We synthesized Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu, the peptide contained in lactoferrin (Lf), to identify the angiotensin converting enzyme (ACE) inhibition. In an attempt to know the structure‐activity relationship of this peptide, we replaced Pro (the third amino acid residues from N‐terminal) or Val (the fourth amino acid residues from N‐terminal) with Ala (neutral amino acid), Glu (acidic amino acid) or Lys (basic amino acid) to produce six peptides. From the in vitro ACE inhibition (IC50) of these synthesized peptides, the original peptide (Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu) showed higher ACE inhibition than the replaced six peptides. Thus, replacement of Pro at the third amino acid residues or Val at the fourth position with Ala, Glu or Lys revealed the ACE inhibition to be lower than the original form of Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu. Otherwise, we added one peptide at the C‐terminal of Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu and found both products with an addition of Val (Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu‐Val) or Ile (Leu‐Arg‐Pro‐Val‐Ala‐Ala‐Glu‐Ile) showing a lower ACE inhibition than the original one. The ACE inhibitions produced by both replaced peptides were without significance. Also, deletion of the last peptide at the C‐terminal (Leu‐Arg‐Pro‐Val‐Ala‐Ala) failed to produce a marked change of ACE inhibition as compared to the original one. These results suggest that Pro and Val are essential in the peptide for inhibition of ACE activity. 相似文献
993.
Reaction of PdCl2(CH3CN)2 with the sodium salt of 5‐mercapto‐1‐methyltetrazole (MetzSNa) in methanol solution affords an interesting dinuclear palladium complex [Pd2(MetzS)4 ] ( 1 ). However, treatment of PdCl2(CH3CN)2 with neutral MetzSH ligand in methanol solution produces a mononuclear palladium complex [Pd(MetzSH)4]Cl2 ( 2 ). Both complexes were characterized by IR, 1HNMR, UV‐Vis spectroscopy as well as X‐ray crystallography. Single‐crystal X‐ray diffraction analyses of two complexes lead to the elucidation of the structures and show that 1 possesses an asymmetric structure: one Pd atom is tetracoordinated by three sulfur atoms and one nitrogen atom to form PdS3N coordination sphere, the other Pd atom is tetracoordinated by three nitrogen atoms and one sulfur atom to form PdSN3 coordination sphere. The molecules of 1 are associated to 1‐D infinite linear chain by weak intermolecular Pd···S contacts in the crystal lattice. In 2 , the Pd atom lies on an inversion center and has a square‐planar coordination involving the S atoms from four MetzSH ligands. The two chloride ions are not involved in coordination, but are engaged in hydrogen bonding. 相似文献
994.
Le‐Qing Fan Ji‐Huai Wu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m548-m549
The title compound, [ZnI2(bipy)]n (bipy is 4,4′‐bipyridine, C10H8N2), has been prepared by the hydrothermal reaction of ZnI2 and bipy at 433 K. Each Zn atom is coordinated by two N atoms from two different bipy ligands and by two I atoms in a distorted tetrahedral geometry, with Zn—N distances ranging from 2.068 (7) to 2.101 (8) Å and Zn—I distances ranging from 2.5471 (13) to 2.5673 (13) Å. The molecular structure features a zigzag polymeric chain. Face‐to‐face π–π stacking interactions between adjacent bipy ligands stabilize the structure. 相似文献
995.
The paramagnetic complexes formed in Friedel‐Crafts alkylation reaction systems are invistigated by electron spin resonance (ESR) spectroscopy, in room temperature ionic liquids system 1‐butyl‐3‐methyl‐limidazolium chloride‐aluminium chloride ([bmim]Cl‐AlCl3). The results indicate that ESR spectra observed are due to polycyclic aromatic radical cations formed from their parent hydrocarbons. ESR spectrum of spin adduct is obtained in an ionic liquid system composed of [bmim]Cl‐AlCl3. In acidic solution the 14N hyperfine coupling constant of 4‐oxo‐TEMPO, 2.15 mT, is appreciably larger due to an adduct formed with AlCl3. 相似文献
996.
The complex Eu(btfa)3 (phen) (btfa=4,4,4‐trifluoro‐1‐phenyl‐1, 3‐butanedione, phen = 1,10‐phenanthroline) has been prepared and characterized by elemental analysis, IR and UV spectroscopies. The crystal and molecular structures of the complex have been determined by X‐ray diffraction analysis. It belongs to the monoclinic crystal system, space group P21/c with a = 0.9700(2) nm, b = 3.7450(5) nm, c = 1.0917(3) nm, β = 92.51(2)°, V = 3.962(1) nm5, Z = 4, Dc = 1.639 g/cm3, μ = 1.676 mm?1, F(000) = 1936, R1, = 0.0388, wR2 = 0.0775. Structure analysis shows that the europium(III) ion is coordinated to six oxygen atoms of β‐diketonate anions and two nitrogen atoms of phenanthroline molecule. The coordination polyhedron is an approximate square antiprism. 相似文献
997.
Synthesis and Crystal Structure of [(n‐Bu)4N][W6Cl18] Single‐crystals of [(n‐Bu)4N][W6Cl18] were obtained as thin needles by adding methanol to a solution of W6Cl18 and [(n‐Bu)4N]Cl in tetrahydrofuran. The structure was determined by single‐crystal X‐ray diffraction at 210 K. [(n‐Bu)4N][W6Cl18] crystallizes in the monoclinic space group C 2/c with Z = 8 and the lattice parameters a = 2175.6(1) pm, b = 1738.0(1) pm, c = 2160.36(9) pm, and β = 91.680(5) °. The crystal structure contains isolated [(W6Cl12i)Cl6a]— clusters and [(n‐Bu)4N]+ ions. 相似文献
998.
The first enantioselective total synthesis of 5-acetoxygoniothalamin 1 and 5-acetoxyisogoniothalamin oxide 2 was achieved through the Sharpless kinetic resolution of recemic secondary 2-furylmethanol 5 and the Mitsunobu reaction. At the same time we developed a short synthetic route for 6R-( )-goniothalamin 3 and (6R,7R,8R)-( )-goniothalamin oxide 4. And according to this route the configuration of 5-acetoxygoniothalamin 1 was confirmed as (5S,6S). 相似文献
999.
A new anthraquinone glycoside, rubiayannone‐A ( 1 ), and a new coumarin, rubilatin‐A ( 2 ), together with twenty‐two known compounds were isolated and characterized from the roots of Rubia ustulata. A new anthraquinone, 2‐carbomethoxyanthraquinone ( 3 ), and rubiayannone‐A, 2‐formylanthraquinone were obtained from the roots of R. yunnanensis. The structures of those compounds were elucidated by spectroscopic methods. The antiplatelet aggregation activity of the isolated compounds 1, 4~6 were also discussed. 相似文献
1000.
Khalil A. Abboud Peter N. Nickias Eugene Y.‐X. Chen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m41-m42
In the structure of bis({N‐[dimethyl(1η5‐2,3,4,6‐tetramethylindenyl)silyl]cyclohexylamido‐1κN}(methyl‐3κC)‐di‐μ3‐methylene‐1:2:3κ3C;1:3:3′κ3C‐tris(pentafluorophenyl‐2κC)titanium) benzene disolvate, [Me2Si(η5‐2,3,4,6‐Me4C9H2)(C6H11N)]Ti[(μ3‐CH2)Al(C6F5)3][AlMe(μ3‐CH2)]2 or [Ti2(C21H7AlF15)2(C21H31NSi)2]·2C6D6, the dimer is located on an inversion center, and the two Ti centers are linked by double Ti(μ3‐CH2)Al(C6F5)3AlMe(μ3‐CH2) heterocycles. The electron‐deficient Ti centers are further stabilized by two α‐agostic interactions between Ti and one H atom of each bridging methylene group. 相似文献