Pub Date : 2008-12-24DOI: 10.2116/ANALSCIX.24.X291
D. Mondieig, P. Négrier, J. Leger, S. Massip, B. Benali, C. Jermoumi, B. Lakhrissi
The single-crystal structure of 2-S-(6′-deoxy-1′,2′:3′,4′-di-O-isopropylidene-a-D-galacto pyranos-6′-ylthio)-3-methylquinoxaline (C21H26N2O5S) was determined at 293 K and refined to R = 0.0373 for 3634 observed reflections. This crystal is orthorhombic, P212121 with Z = 4. The unit-cell dimensions are: a = 11.0592(9)A, b = 11.3500(7)A, c = 16.9656(10)A and V = 2129.6(3)A3. Molecules are stacked with C-H***N hydrogen bonds.
在293 K下测定了2- s-(6′-脱氧-1′，2′:3′，4′-二o -异丙基-a- d -半乳吡喃-6′-基硫代)-3-甲基喹啉(C21H26N2O5S)的单晶结构，并在3634次反射下将其细化为R = 0.0373。该晶体为正交晶型，P212121, Z = 4。单元尺寸为:a = 11.0592(9) a, b = 11.3500(7) a, c = 16.9656(10) a, V = 2129.6(3)A3。分子由C-H***N氢键堆叠。
{"title":"Crystal Structure of 2-S-(6′-Deoxy-1′,2′:3′,4′-di-O-isopropylidene-α- D -galactopyranos-6′-ylthio)-3-methylquinoxaline","authors":"D. Mondieig, P. Négrier, J. Leger, S. Massip, B. Benali, C. Jermoumi, B. Lakhrissi","doi":"10.2116/ANALSCIX.24.X291","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X291","url":null,"abstract":"The single-crystal structure of 2-S-(6′-deoxy-1′,2′:3′,4′-di-O-isopropylidene-a-D-galacto pyranos-6′-ylthio)-3-methylquinoxaline (C21H26N2O5S) was determined at 293 K and refined to R = 0.0373 for 3634 observed reflections. This crystal is orthorhombic, P212121 with Z = 4. The unit-cell dimensions are: a = 11.0592(9)A, b = 11.3500(7)A, c = 16.9656(10)A and V = 2129.6(3)A3. Molecules are stacked with C-H***N hydrogen bonds.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89940824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-12-01DOI: 10.2116/ANALSCIX.24.X147
V. Cristante, A. Mauro, A. V. Netto, R. Frem, J. Ferreira, Regina H. A. Santos, Miriam P. Dos Santos
The triphenylphosphine (PPh3) displaces the acetonitrile from [PdCl2(CH3CN)2], and subsequent addition of the potassium cyanate causes substitution of the chloro ligand by NCO- to yield trans-[Pd(NCO)2(PPh3)2]. The complex was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group P1 with a = 9.213(3)A, b = 9.781(7)A, c = 10.483(5)A, α = 111.39(5)°, β = 93.49(3)°, γ = 103.81(4)°, V = 845.0(1)A3, Z = 1. The coordination geometry around Pd(II) in this complex is nearly square-planar, with the ligands in a trans relationship.
三苯基膦(PPh3)取代了[PdCl2(CH3CN)2]中的乙腈，随后加入氰酸钾导致氯配体被NCO-取代，生成反式-[Pd(NCO)2(PPh3)2]。通过元素分析、红外光谱和单晶x射线衍射对配合物进行了表征。该化合物在三斜晶系中结晶，空间群P1的a = 9.213(3) a, b = 9.781(7) a, c = 10.483(5) a， α = 111.39(5)°，β = 93.49(3)°，γ = 103.81(4)°，V = 845.0(1)A3, Z = 1。该配合物中Pd(II)周围的配位几何形状接近方平面，配体呈反式关系。
{"title":"Molecular and Crystal Structure of trans-(Dicyanato)-bis(triphenylphosphine)palladium(II)","authors":"V. Cristante, A. Mauro, A. V. Netto, R. Frem, J. Ferreira, Regina H. A. Santos, Miriam P. Dos Santos","doi":"10.2116/ANALSCIX.24.X147","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X147","url":null,"abstract":"The triphenylphosphine (PPh3) displaces the acetonitrile from [PdCl2(CH3CN)2], and subsequent addition of the potassium cyanate causes substitution of the chloro ligand by NCO- to yield trans-[Pd(NCO)2(PPh3)2]. The complex was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group P1 with a = 9.213(3)A, b = 9.781(7)A, c = 10.483(5)A, α = 111.39(5)°, β = 93.49(3)°, γ = 103.81(4)°, V = 845.0(1)A3, Z = 1. The coordination geometry around Pd(II) in this complex is nearly square-planar, with the ligands in a trans relationship.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74145059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. O. Legendre, A. Mauro, V. M. Nogueira, E. Castellano
This work reports on the synthesis of a copper(II) coordination compound with 4,4-oxibis(benzoate) (obb) and trans-1,2-bis(4-pyridyl)ethene (bpe) ligands. The complex was characterized by single-crystal X-ray diffraction, which showed a 3D polymeric structure. Each copper center is surrounded by four oxygen atoms at the basal plane and one nitrogen atom and one copper atom at the axial positions, revealing a distorted octahedral geometry. Four carboxylic groups bridge two copper atoms, forming a cage-like structure, with the distance between the metallic centers being 2.656(1)A.
{"title":"Hydrothermal synthesis and crystal structure of a copper(ii) coordination polymer with bridging dicarboxylate and diamine ligands","authors":"A. O. Legendre, A. Mauro, V. M. Nogueira, E. Castellano","doi":"10.2116/ANALSCIX.24.X69","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X69","url":null,"abstract":"This work reports on the synthesis of a copper(II) coordination compound with 4,4-oxibis(benzoate) (obb) and trans-1,2-bis(4-pyridyl)ethene (bpe) ligands. The complex was characterized by single-crystal X-ray diffraction, which showed a 3D polymeric structure. Each copper center is surrounded by four oxygen atoms at the basal plane and one nitrogen atom and one copper atom at the axial positions, revealing a distorted octahedral geometry. Four carboxylic groups bridge two copper atoms, forming a cage-like structure, with the distance between the metallic centers being 2.656(1)A.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"24 23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75584384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-12-01DOI: 10.2116/ANALSCIX.24.X149
A. C. Moro, A. Mauro, A. O. Legendre, A. V. Netto, E. Castellano
Instituto de Quimica de Araraquara Sao Paulo State University-UNESP, CEP 14800-900, Araraquara, SP
{"title":"Crystal and molecular structure of dinuclear palladium(II) complex containing nitrogen and phosphorus donor ligands, [Pd2(N3)4(PPh3)2(μ-ted)]","authors":"A. C. Moro, A. Mauro, A. O. Legendre, A. V. Netto, E. Castellano","doi":"10.2116/ANALSCIX.24.X149","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X149","url":null,"abstract":"Instituto de Quimica de Araraquara Sao Paulo State University-UNESP, CEP 14800-900, Araraquara, SP","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"57 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73987018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The title compound, N-β-phenylcinnamaldehyd-4-bromoaniline, C21H16BrN, possesses normal geometrical parameters. The observed bond lengths and angles imply that there is little electronic conjugation between three benzene ring systems. In the crystal, molecules interact by way of weak C-H…N and C-H…π interactions, leading to chains propagating in [010].
{"title":"Crystal Structure of β-Phenylcinnamaldehyde-4-bromoaniline","authors":"A. D. Khalaji, W. Harrison","doi":"10.2116/ANALSCIX.24.X3","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X3","url":null,"abstract":"The title compound, N-β-phenylcinnamaldehyd-4-bromoaniline, C21H16BrN, possesses normal geometrical parameters. The observed bond lengths and angles imply that there is little electronic conjugation between three benzene ring systems. In the crystal, molecules interact by way of weak C-H…N and C-H…π interactions, leading to chains propagating in [010].","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73987743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-12-01DOI: 10.2116/ANALSCIX.24.X305
H. Kurosaki, Koki Matsuda, N. Yamakawa, Y. Yamaguchi, T. Chávez-Gil
The title copper(II) complex crystallized in the monoclinic space group P21 with a = 8.821(1), b = 7.168(2), c = 15.134(1)A, β = 100.636(8)°, V = 940.5(2)A3, and Z = 2. The complex is a distorted square pyramidal geometry around the copper atom with four nitrogen atoms of two bidentate ligands and one axial Cl atom.
铜(II)配合物在单斜空间群P21中结晶，a = 8.821(1)， b = 7.168(2)， c = 15.134(1) a， β = 100.636(8)°，V = 940.5(2)A3, Z = 2。该配合物是围绕铜原子、四个氮原子、两个双齿配体和一个轴向Cl原子的扭曲方锥体。
{"title":"Crystal Structure of Chlorobis(R-1-pyridine-2-ylethylamine)copper(II) Chloride","authors":"H. Kurosaki, Koki Matsuda, N. Yamakawa, Y. Yamaguchi, T. Chávez-Gil","doi":"10.2116/ANALSCIX.24.X305","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X305","url":null,"abstract":"The title copper(II) complex crystallized in the monoclinic space group P21 with a = 8.821(1), b = 7.168(2), c = 15.134(1)A, β = 100.636(8)°, V = 940.5(2)A3, and Z = 2. The complex is a distorted square pyramidal geometry around the copper atom with four nitrogen atoms of two bidentate ligands and one axial Cl atom.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74956927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-11-01DOI: 10.2116/ANALSCIX.24.X271
A. B. Siqueira, A. O. Legendre, J. Ellena, A. Mauro, M. Ionashiro
The compound dysprosium(III) 2-metoxybenzoate, {[Dy(2-MeO-Bz)2μ-(2-MeO-Bz)(H2O)2]2·4H2O}n (2-MeO-Bz = 2-methoxybenzoate), was synthesized from a reaction mixture containing DyCl3 and Na(2-MeO-Bz), and characterized by single-crystal X-ray diffraction. The molecular structure showed dinuclear units in which each Dy(III) ion is coordinated by nine oxygen atoms. The carboxylato groups are bound to the dysprosium centers in two modes: bidentate chelating and tridentate chelating-bridging. Besides this, the occurrence of hydrogen bonds involving a coordinated water molecule and carboxylato groups leads to the formation of helicoidal chains along the crystal lattice, resulting in a supramolecular one-dimensional polymer.
{"title":"Crystal and supramolecular structures of dysprosium(III) 2-methoxybenzoate tetrahydrate","authors":"A. B. Siqueira, A. O. Legendre, J. Ellena, A. Mauro, M. Ionashiro","doi":"10.2116/ANALSCIX.24.X271","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X271","url":null,"abstract":"The compound dysprosium(III) 2-metoxybenzoate, {[Dy(2-MeO-Bz)2μ-(2-MeO-Bz)(H2O)2]2·4H2O}n (2-MeO-Bz = 2-methoxybenzoate), was synthesized from a reaction mixture containing DyCl3 and Na(2-MeO-Bz), and characterized by single-crystal X-ray diffraction. The molecular structure showed dinuclear units in which each Dy(III) ion is coordinated by nine oxygen atoms. The carboxylato groups are bound to the dysprosium centers in two modes: bidentate chelating and tridentate chelating-bridging. Besides this, the occurrence of hydrogen bonds involving a coordinated water molecule and carboxylato groups leads to the formation of helicoidal chains along the crystal lattice, resulting in a supramolecular one-dimensional polymer.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73666396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-09-01DOI: 10.2116/ANALSCIX.24.X199
N. Rashid, M. Hasan, M. Tahir, Nurdiyana M. Yusof, B. Yamin
In the title compound, C12H11F3N2O2, the diazepin ring adopts a skewed boat conformation. The methyl group and the trifluoroacetyl group are trans to each other. The molecule is stabilized by C-H…O intermolecular hydrogen bonds in a two-dimensional network.
{"title":"Crystal Structure of 4-Methyl-5-trifluoroacetyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","authors":"N. Rashid, M. Hasan, M. Tahir, Nurdiyana M. Yusof, B. Yamin","doi":"10.2116/ANALSCIX.24.X199","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X199","url":null,"abstract":"In the title compound, C12H11F3N2O2, the diazepin ring adopts a skewed boat conformation. The methyl group and the trifluoroacetyl group are trans to each other. The molecule is stabilized by C-H…O intermolecular hydrogen bonds in a two-dimensional network.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87607959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-08-01DOI: 10.2116/ANALSCIX.24.X175
Hajime Takahashi, K. Kubo, H. Takechi, Taisuke Matsumoto
t-Butyl coumarin-3-carbamate (1), which was prepared by the reaction of t-butanol with coumarin-3-carbonyl azide, has herbicidal activities. The crystal structure of 1 was analyzed by single-crystal X-ray diffraction. The carbamate group makes an angle of 8.16(5)° with the coumarin ring. Intermolecular C-H…O interactions were observed in the crystal structure.
{"title":"Crystal Structure of 1,1-Dimethylethyl N-(2-Oxo-2H-1-benzopyran-3-yl)carbamate","authors":"Hajime Takahashi, K. Kubo, H. Takechi, Taisuke Matsumoto","doi":"10.2116/ANALSCIX.24.X175","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X175","url":null,"abstract":"t-Butyl coumarin-3-carbamate (1), which was prepared by the reaction of t-butanol with coumarin-3-carbonyl azide, has herbicidal activities. The crystal structure of 1 was analyzed by single-crystal X-ray diffraction. The carbamate group makes an angle of 8.16(5)° with the coumarin ring. Intermolecular C-H…O interactions were observed in the crystal structure.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"2016 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73753478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2008-01-01DOI: 10.2116/ANALSCIX.24.X233
B. Ziemer, S. Scholtis, R. Mahrwald
The complexes of trinuclear TiCl3-O-TiCl3/TiCl2(O-(R)-mandelic acid methylester)2 I, C18H18Cl8O7Ti3, and dimeric TiCl3O-rac-mandelic acid methylester II, C18H18Cl6O6Ti2, were determined unambiguously by X-ray diffraction. Both crystal structures contain one solvent molecule toluene per complex. In structure I there are five independent complexes in the asymmetric unit cell. The formation of both the crystal structure as well as the coordination sphere of titanium is controlled sensitively by the chirality of mandelic acid methylesters.
{"title":"TiCl4-Complexation by Mandelic Acid Methylester","authors":"B. Ziemer, S. Scholtis, R. Mahrwald","doi":"10.2116/ANALSCIX.24.X233","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X233","url":null,"abstract":"The complexes of trinuclear TiCl3-O-TiCl3/TiCl2(O-(R)-mandelic acid methylester)2 I, C18H18Cl8O7Ti3, and dimeric TiCl3O-rac-mandelic acid methylester II, C18H18Cl6O6Ti2, were determined unambiguously by X-ray diffraction. Both crystal structures contain one solvent molecule toluene per complex. In structure I there are five independent complexes in the asymmetric unit cell. The formation of both the crystal structure as well as the coordination sphere of titanium is controlled sensitively by the chirality of mandelic acid methylesters.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"49 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74147394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：