Yttrium Coordination Compounds with Nitrilotris(Methylenephosphonic Acid)

Russian Journal of Coordination Chemistry - Nitrilotris(methylenephosphonato)yttrium [YH3{N(CH2PO3)3}] · 2H2O (I) and octapotassium monohydro-bis-nitrilotris(methylenephosphonato)yttriate...     

Crystal and Molecular Structure of Phosphoenolpyruvate Salts

Abstract

Phosphoenolpyruvate (PEP) plays central role in the storage and transfer of energy in biological systems. Its free energy of hydrolysis (-58.5 kJ mol^?1) is the highest known for monoesterified phosphate esters. Depending on pH PEP can occur as monoanion, dianion and trianion or as tri-basic acid. Studying PEP salts in different crystal forms provides additional information on its molecular flexibility, phosphate group conjugation with the enolpyruvate residue and kind of binding to different cations.     

Synthesis and Properties of Onium Salts of Isocyanuric Acid. Crystal Structure of Tetraphenylphosphonium Isocyanurate

Previously unknown tetrabutylammonium and tetraphenylphosphonium isocyanurates were prepared, and their IR spectra were examined. The crystal structure of tetraphenylphosphonium isocyanurate was determined.__________Translated from Zhurnal Obshchei Khimii, Vol. 75, No. 3, 2005, pp. 417–421.Original Russian Text Copyright © 2005 by Flakina, Chekhlov, Kushch, Lyubovskaya.     

31P NMR Study of Complexation between Thallium(III) and Diethylenetriaminopentakis(methylenephosphonic Acid)

Aqueous solutions containing thallium(III) and diethylenetriaminopentakis(methylenephosphonic acid) (DTPP, H₁₀Dtpph) in a ratio of 1 : 1 were studied by ³¹P NMR spectroscopy in a pH range from 4 to 11. Complexation between DTPP and thallium in aqueous solutions gave complexes [TlH _n Dtpph] ^{n – 7}, which are highly stable on the NMR time scale. Each complex contains three nonequivalent phosphonic groups characterized by ^2,3 J(³¹,Tl) spin–spin coupling constants of 560 to 310 Hz. All the five phosphonic groups of DTPP are involved in coordination. The structure of the complex [TlH _n Dtpph] ^{n – 7} was proposed.     

吡啶-2-甲酸镍的合成及其晶体结构

以吡啶 2 甲酸和Ni(ClO4)2·6H2O为原料反应制得配合物[Ni(C5H4NCOO)2(H2O)2]2H2O,并通过X 射线衍射法测定其晶体结构.该化合物属于单斜晶系,空间群P21/n,晶胞参数:a=0.97351(15)nm,b=0.52254(8)nm,c=1.4483(2)nm,β=90.119(3)°,V=0.7367(2)nm3,Z=2,Dc=1.690g/cm3,μ=1.362mm 1,F(000)=388,结构偏离因子R1=0.0316,wR2=0.0902,共收集到4771个强度数据,其中1700个独立衍射点,1489个(I>2σ(I))可观测点.X 射线分析表明晶体是由分子间氢键和π π弱相互作用堆积而成的二维层状结构.     

Crystal Structure of Nicotinic Acid(3,5-dinitrobenzoic Acid Organic Adduct

The title compound nicotinic acid(3,5-dinitrobenzoic acid(NDNT)has been obtained by the reaction of nicotinic acid with 3,5-dinitrobenzoic acid in deionic water at room temperature.The crystal is of monoclinic,space group P21/n with a=14.053(6),b=5.046(2),c=20.105(8)A,β=103.573(8)°,C13H9N3O8,Mr=335.23,Z=4,V=1385.8(10)A3,Dc=1.607g/cm3,μ(MoKα)=0.137 mm－1,F(000)=688,R=0.0435 and wR=0.0993 for 1239 observed reflections (I>2σ(I)).In the crystals,the asymmetric unit contains one nicotinic acid (C6H5NO2)and one 3,5-dinitrobenzoic acid (C7H4N2O6)molecules which are linked by some hydrogen bonds to form a twenty-membered hydrogen-bonded ring and an extended linear structure.     

Volume Changes in the Course of Neutralization of Nitrilotris(methanephosphonic) Acid with Aqueous Ammonia

Volume changes in the course of neutralization of solutions of nitrilotris(methanephosphonic), hydrochloric, and nitric acids with aqueous ammonia solution were measured dilatometrically at 298 K. The changes in the molar volumes were calculated for various stages of the neutralization. The data were com- pared to the results of titration of nitrilotris(methanephosphonic) acid with strong hydroxyl-containing bases. The specific features of reactions of ammonia with acids and the state of nitrilotris(methanephosphonic) acid in various stages of its dissociation were taken into account in data interpretation.     

Crystal Structure of d-Erythroascorbic Acid

Abstract

d-Glycero-2-pentenono-1,4-lactone (d-erythroascorbic acid, EAA) is present in yeasts and fungi where little or no l-ascorbic acid (AA) is found.^1,2 Higher organisms all contain AA in active and growing cells. AA is thought to have evolved to protect living cells from lethal levels of active-oxygen species.³ AA is required also for optimal activity of enzymes that catalyze hydroxylation reactions.^4,5 The role of EAA in yeasts and fungi is unknown. Frank A. Loewus (personal communication) has found that plantpathogenic fungi catabolize EAA to oxalate, an acid involved in the invasion of the host. Chemical syntheses^6–8 of EAA have been reported in recent years. Herein, we present information on the conformation of EAA.     

（R）—四氢噻唑—2—硫酮—4—羧酸的合成及其晶体结构

由Ｌ－半胱氨酸盐酸盐与二硫化碳在ＮａＯＨ及ＣｕＳＯ４．Ｈ２Ｏ存在下反应得到（Ｒ）－四氢噻唑－２－硫酮－４－羧酸，「α」＾２０Ｄ－８７．５°，产率６６％。用Ｘ射线衍射法测得其晶体结构，属正交晶系，Ｐｚ１ｚ１ｚ１空间群，晶体学参数：α＝０．５０２９（２）ｎｍ，ｂ＝０．７７４９９（５）ｎｍ，ｃ＝１．６３００（５）ｎｍ，Ｖ＝０．６３５０（５）ｎｍ＾３，Ｚ＝４。用分子轨道方法研究了该化合物的电子结构，得到其     

Synthesis and Crystal Structure of a Lanthanum(III) Complex with Chelidamic Acid

A new lanthanum complex, (H3O)2[La(C7H3NO5)2(H2O)2]2·3(H2O) or (H3O)2[La(HChel)2(H2O)2]2·3(H2O) 1 (H3Chel = 4-hydroxypyridine-2,6-dicarboxylic(chelidamic) acid), has been prepared by the hydrothermal reaction, and its crystal structure was determined based on single-crystal diffraction data. Compound 1 crystallizes in triclinic, space group P with a = 9.6939(19), b = 10.176(2), c = 11.502(2) (A), α = 111.52(3), β = 93.74(3), γ = 103.33(3)°, V = 1013.0(3) (A)3, Dc = 1.912 g/cm3, Z = 1, Mr = 1166.40, μ = 2.188 mm-1, λ(MoKα) = 0.71073 (A) and F(000) = 574. The final R = 0.0342 and wR = 0.0737 for 4080 observed reflections with I > 2σ(I), and R = 0.0429 and wR = 0.0772 for all data. Compound 1 contains two lanthanum ions, four chelidamic acid ligands, four coordinated water molecules, two hydroniums, and three discrete water molecules. The LaIII atom is ten-coordinated by four oxygen and two nitrogen atoms from two tridentate chelating chelidamic acid ligands, two carboxylic oxygen atoms from an adjacent chelidamic acid ligand and two coordinated water molecules, leading to a distorted dodecahedral geometry. A three-dimensional network is formed by H-bonds.     

Synthesis，Crystal Structure of N－Salicylidene－o－aminobenzoic Acid Dipyridine Copper（Ⅱ） Monohydrate

Ｓｙｎｔｈｅｓｉｓ，ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆＮ－Ｓａｌｉｃｙｌｉｄｅｎｅ－ｏ－ａｍｉｎｏｂｅｎｚｏｉｃＡｃｉｄＤｉｐｙｒｉｄｉｎｅＣｏｐｐｅｒ（Ⅱ）ＭｏｎｏｈｙｄｒａｔｅＬｉＳｈｕ－Ｌａｎ；ＬｉｕＤｅ－Ｘｉｎ；ＭｅｎｇＦａｎ－Ｑｉｎ；Ｚｈ...     

Crystal and Molecular Structure of Cyanuric Acid

ＣｒｙｓｔａｌａｎｄＭｏｌｅｃｕｌａｒＳｔｒｕｃｔｕｒｅｏｆＣｙａｎｕｒｉｃＡｃｉｄＣｈｅｎＣｈａｎｇ－Ｚｈａｎｇ；ＳｈｉＪｉａｎ－ＱｉｕＬｉｎＺｈｏｕ－Ｂｉｎ；ＧａｏＤｏｎｇ－Ｓｈｏｕ；ＨｕａｎｇＸｉａｏ－Ｙｉｎｇ；ＬｉＤｉｎｇ（ＦｕｊｉａｎＩｎｓ...     

Synthesis and Crystal Structure of 2-（N-Cyclohexyl）-imino-1,4-succinic Acid Dihydrate

1INTRODUCTIONItiswellknownthatthetwentyα-aminoacidsarethemostcommononesexistinginnature[1,.2]Actually,nineteenα-aminoacidsandoneα-iminoacidareutilizedinlivingcellsforproteinsynthesisunderthecontrolofgenes.Theyareinaspecialca-tegoryduetotheirfundamentalsofalllifeformsasbuildingblocksforlifeproteins[3～5].Aminoacidsarealsoimportantnaturalchiralmaterialsforsyn-thesizingpeptides,alkaloids,antibioticandmorecomplexmoleculeswithbiologicalactivities[6].Ac-cordingtothesyntheticmethodology,amino…     

Synthesis,Crystal Structure and Biological Activities of Novel Anthranilic(Isophthalic) Acid Esters

In search of environmentally benign insecticides with high activity, low toxicity and low resistance, a series of novel anthranilic(isophthalic) acid esters was designed and synthesized based on the structure of ryanodine modulating agent. All the compounds were characterized by ¹H NMR spectra, elemental analysis or high resolution mass spectrometry(HRMS). The preliminary results of biological activity assessment indicate that some of the title compounds exhibit certain but unremarkable insecticidal activity against Mythimna separata Walker at 200 mg/L and fungicidal activities against five funguses at 50 mg/L.     

Synthesis and Crystal Structure of Di-n-butyltin(IV) Complex with 2-Oxo-propionic Acid (4-Pyridinecarbonyl) Hydrazone

Introduction The studies of diorganotin(IV) complexes are of current interest owing to their wide range of applica-tions such as biocides and homogeneous catalysts in industry.1 In recent years there have been more and more reports on the synthesis, antitumour activities and structural elucidation of various diorganotin(IV) deriva-tives of carboxylic acid.2-5 In particular, people take considerable interest in structural studies of diorgano-tin(IV) complexes of carboxylic acid, because there…     

Synthesis and Crystal Structure of Dipotassium Salts of N-Alkyl-N-{[O-alkoxy(hydroxy)phosphoryl]methyl}ditiocarbamic Acids

Russian Journal of General Chemistry - A one-pot method for the synthesis of dipotassium salts of N-alkyl-N-{[O-alkoxy(hydroxy)phosphoryl]methyl}dithiocarbamic acids has been elaborated....     

碘酸盐的晶体结构与热力学性质——(Ⅰ)碘酸盐的晶体结构特点

本文根据作者等人的实验结果并结合文献报导的数据,综述了碘酸盐及其复盐的晶体结构特点和分类。对α-LiIO_3,Li_2H(IO_3)3,Mg(IO_3)_2,Mg(IO_3)_2-LiIO_3固溶体,Zn(IO_3)_2等晶体结构变迁的情况进行了分析。阐述了由于空位数量和分布的不同,以及阳离子性质(电价、离子极化能力和离子半径等)的不同,晶格场发生变化,引起了IO_3~-在不同方向和不同程度的移动或转动,因而有可能在不同方向上形成不同程度的各种畸变型结构和超结构。     

三维聚合物双(三丁基锡)戊二酸酯的合成及晶体结构研究

用三丁基氯化锡与戊二羧酸二钠以2:1摩尔比反应,合成了双（三丁基锡）戊二羧酸酯,并用元素分析、红外光谱、核磁共振氢谱及X-射线单晶衍射进行了表征和结构测定。X-射线单晶衍射法测定表明,化合物属单斜晶系,空间群为Cc,晶胞参数:a=13.984（3）,b=16.164（3）,c=16.894（3）A,β=107.457（3）°,V=3642.9（11）A3,Z=4,C29H60O4Sn2,Dc=1.251g/cm3,μ=1.394 mm-1,R=0.0500,wR=0.0874,F（000）=1416。晶体结构中存在2种化学环境不同的三角双锥构型的锡原子,由于配体中2个羧基在不同方向的交联作用,使化合物呈现三维立体骨架结构,并且在骨架结构中存在沿a、b、c轴3个方向伸展的规则的大环直孔道。