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Structure of cis and trans-4-Bromophenylstyrylsulfones 顺式和反式4-溴苯基苯基砜的结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X115
A. Lalitha, A. D. Stephen, K. Pitchumani, C. Srinivasan, P. Kumaradhas
{"title":"Structure of cis and trans-4-Bromophenylstyrylsulfones","authors":"A. Lalitha, A. D. Stephen, K. Pitchumani, C. Srinivasan, P. Kumaradhas","doi":"10.2116/ANALSCIX.24.X115","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X115","url":null,"abstract":"Natural and synthetic zeolites form a variety of beautiful framework structures. These structures contain cages or cavities as well as channels. Access to these channels, cages or cavities is through a pore or window, which can be of the same size or smaller than their sizes. In cation-exchanged faujasite zeolites, the cage sizes always depend on the cation size. The geometrical isomerization of 4-bromophenyl styryl sulfone has been studied in solution media as well as in the presence of various cation-exchanged Y-type faujasite zeolites.1 In these zeolites, the cage free volume decreases as the cation size increases, resulting in an increase in the proportion of the cisisomer. Moreover, it is observed that while stirring as a hexane slurry, the cis-isomer 1 readily goes into the zeolite cage while the trans-isomer 2 remains in the hexane. This suggests that the molecular dimension of the trans-isomer is incompatible for its facile entry through the cage window. This interesting observation prompted us to grow single crystals of compounds 1 and 2 to gain more insight into their molecular structures, geometrical conformations and intermolecular interactions. The cis and trans forms of 4-bromophenyl styryl sulfone compounds were synthesized as per reported methods.2,3 The final products of 1 and 2 were crystallized by a slow-evaporation method using the solvent isooctane. Initially, both structures were confirmed by the H-NMR and C-NMR spectra. The selected geometrical parameters of both molecules [1 & 2] are given in Table 2. The hydrogen bonding interactions of 1 and 2 are presented in Table 3. Figures 2(a) and 2(b) show the molecular structures of 1 & 2 with thermal ellipsoid atoms. In 1 & 2, the S–C(9) bond lengths are 1.762(8) and 1.758(4)Å, respectively; an average, this dimension is slightly longer compared with S–C(8) [1.372(9) X-ray Structure Analysis Online","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"230 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88868871","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}
引用次数: 0
Crystal Structure of a Novel Coordination Polymer of 4-Bromobenzoic Acid with Cobalt(II) 新型4-溴苯甲酸-钴配位聚合物的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X7
X. Qiu, Weisheng Liu, Hailiang Zhu
{"title":"Crystal Structure of a Novel Coordination Polymer of 4-Bromobenzoic Acid with Cobalt(II)","authors":"X. Qiu, Weisheng Liu, Hailiang Zhu","doi":"10.2116/ANALSCIX.24.X7","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X7","url":null,"abstract":"A novel coordination polymer of cobalt(II) with 4-bromobenzoic acid ligand was synthesized. The title complex was crystallized in a monoclinic system, space group P21/n with a = 15.396(3)A, b = 5.8802(12)A, c = 27.374(6)A, β = 101.16(3)°, V = 2431.4(9)A3, Z = 4. The central Co(II) atoms are six-coordinated by four O atoms and two N atoms, giving approximately octahedral environments. In the crystal packing of the title complex, molecules are connected by O-H…O hydrogen bonds, forming a linear polymeric chain parallel along the b axis.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"11 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77681981","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}
引用次数: 2
Crystal Structure of N-Benzoyl-N′,N″-bis(2-ethylhexyl)phosphoric triamide N-苯甲酰-N′，N″-二(2-乙基己基)磷酸三酰胺的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X255
H. Mostaanzadeh
{"title":"Crystal Structure of N-Benzoyl-N′,N″-bis(2-ethylhexyl)phosphoric triamide","authors":"H. Mostaanzadeh","doi":"10.2116/ANALSCIX.24.X255","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X255","url":null,"abstract":"N-Benzoyl-N′,N″-bis(2-ethylhexyl)phosphoric triamide crystallizes in the triclinic space group P1 with a = 9.9333(16)A b = 10.5356(17)A c = 12.343(2)A α = 77.34(0)° β = 85.68(0)° γ = 85.09(0)° and Z = 2. The crystal structure indicates disorder in two amine groups that are connected to a phosphor atom. The molecule is obtained in the form of a one-dimensional polymer via intermolecular N-H…O hydrogen bonds. The environment of the three nitrogen atoms is planar, and the P-N bond lenghts are significantly shorter than the P-N single bond.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77424756","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}
引用次数: 2
Crystal Structure of the Tetrakis(cyclopentadienyliron); Butterfly Cluster Compound of 1,3-Diyne, [Cp4Fe4(CO)2(C4Ph2)] 环戊二烯四晶的晶体结构1,3-二炔的蝶簇化合物，[Cp4Fe4(CO)2(C4Ph2)]
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X279
Shinsaku. Yamazaki, T. Yonemura, Z. Taira
{"title":"Crystal Structure of the Tetrakis(cyclopentadienyliron); Butterfly Cluster Compound of 1,3-Diyne, [Cp4Fe4(CO)2(C4Ph2)]","authors":"Shinsaku. Yamazaki, T. Yonemura, Z. Taira","doi":"10.2116/ANALSCIX.24.X279","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X279","url":null,"abstract":"The structure of the title compound was determined by X-ray crystallography. A symmetry operation (1/2-x, 1/2+y, 1/2-z) generates the whole molecule. The compound crystallized in a monoclinic system, and was characterized as follows: P21/n: a = 12.8340(11)A, b = 17.8961(15)A, c = 12.5827(10)A, β = 90.333(7)°, z = 4, V = 2889.93(4)A3. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0555 and wR2 = 0.1668. The structure consists of an iron four butterfly structure overbridged by 1,4-diphenyl-1,3-butadiyne. Carbon atoms in one alkyne group of 1,3-diyne bond to the wing-tip iron atoms by (η2:2π)-bonds with atomic distances of Fe3-C1 2.001(6), Fe3-C3 1.968(6), Fe4-C1 1.985(6), and Fe4-C3 2.022(6)A, and to the hinge iron atoms by (η1:2σ)-bonds with bond lengths of Fe2-C1 1.955(6) and Fe1-C3 1.989(6)A. However, the dihedral angle between the two Fe3-triangles is 108.65°, and two carbon mono-oxide are face-capped on the wings with an atomic distance of Fe-C 1.900(8) - 2.065(7)A.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"53 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90634586","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}
引用次数: 1
Crystal Structure of 3-Ethyl-2-methyl-1H-[1,10]phenanthrolin-4-one 3-乙基-2-甲基- 1h -[1,10]菲罗啉-4-酮的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X259
P. Kanwal, V. Gupta, P. Sharma, N. Satti, K. A. Suri, G. Qazi
{"title":"Crystal Structure of 3-Ethyl-2-methyl-1H-[1,10]phenanthrolin-4-one","authors":"P. Kanwal, V. Gupta, P. Sharma, N. Satti, K. A. Suri, G. Qazi","doi":"10.2116/ANALSCIX.24.X259","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X259","url":null,"abstract":"The title compound, 3-ethyl-2-methyl-1H-[1,10]phenanthrolin-4-one, C15H14N2O, crystallizes in the monoclinic space group P21/n with unit-cell parameters: a = 8.1941(8), b = 12.3569(12), c = 11.9673(12)A, β = 105.214(2)°, Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at 100 K and refined by full-matrix least-squares procedures to a final R-value of 0.0577 for 1818 observed reflections. There is a strong intramolecular hydrogen bond between the two phenanthroline N atoms. The characteristic pattern observed in the packing diagram is the appearance of chains of molecules packed together to form well-defined layers.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"72 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72885720","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}
引用次数: 0
Synthesis and Crystal Structure of 2,6-Xylidinium Cyclohexaphosphate Tetrahydrate 2,6-四水环六磷酸二木的合成及晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X277
O. Amri, S. Abid, M. Rzaigui
{"title":"Synthesis and Crystal Structure of 2,6-Xylidinium Cyclohexaphosphate Tetrahydrate","authors":"O. Amri, S. Abid, M. Rzaigui","doi":"10.2116/ANALSCIX.24.X277","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X277","url":null,"abstract":"The title compound, [2,6-(CH3)2C6H3NH3]6P6O18·4H2O, crystallizes in the monoclinic space group P21/c with the unit-cell parameters: a = 13.855(6), b = 17.383(5), c = 12.696(4)A, β = 92.15(4)°, V = 3135.5(19)A3, Z = 2 and Dx = 1.355 g cm-3. The atomic arrangement can be described by inorganic layers built of P6O18 rings and water molecules, parallel to the (b, c) plane and between which are located the 2,6-xylidinium cations. The grouping is maintained by different types of interactions (electrostatic, H-bonds and van der Waals).","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77416673","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}
引用次数: 6
Synthesis and Crystal Structure of Bis[1,3-bis(2-methoxyphenyl)triazene]-copper(I) Iodide 二[1,3-二(2-甲氧基苯基)三氮烯]-碘化铜的合成及晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X229
M. K. Rofouei, Tahereh Hashempur
{"title":"Synthesis and Crystal Structure of Bis[1,3-bis(2-methoxyphenyl)triazene]-copper(I) Iodide","authors":"M. K. Rofouei, Tahereh Hashempur","doi":"10.2116/ANALSCIX.24.X229","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X229","url":null,"abstract":"The crystal structure of [Cu2I2L2], L = 1,3-bis(2-methoxyphenyl)triazene was determined by X-ray diffraction. The complex crystallizes in the monoclinic system, space group P21/c with a = 9.0976(8), b = 12.4229(12), c = 14.4204(11)A, β = 106.582(3)°, V = 1562.0(2)A3, Z = 2. The structure was solved by the full-matrix least-squares on F2 and had a refined R value of 0.0245 for 3486 reflections (I > 2σ(I)). The Cu2I2 moiety is coordinated by two molecules of the ligand via azide nitrogen and oxygen from a methoxy group in a trigonal pyramidal geometry.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"38 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77699451","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}
引用次数: 1
Crystal Structure of N,N′-o-Phenylenebis(salicylideneimine) (Salophen) with a Solvent N,N′-邻苯二(水杨基亚胺)(Salophen)在溶剂中的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X11
Il Yoon, T. Shimizu, M. Asakawa
{"title":"Crystal Structure of N,N′-o-Phenylenebis(salicylideneimine) (Salophen) with a Solvent","authors":"Il Yoon, T. Shimizu, M. Asakawa","doi":"10.2116/ANALSCIX.24.X11","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X11","url":null,"abstract":"A N,N′-o-phenylenebis(salicylideneimine) (Salophen) macrocycle with a solvent was prepared and its crystal structure was analyzed. In the structure, an acetonitrile is stabilized in the cavity of the salophen macrocycle by hydrogen bonds. In the packing, intermolecular C-H…O, C-H…N, O-H…N hydrogen bondings, C-H…π interactions, and π…π stacking interactions were observed.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"312 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76275861","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}
引用次数: 0
Crystal Structure of Methyl 2-(Benzyloxy)benzoate 2-(苄氧基)苯甲酸甲酯的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X273
J. Jasinski, R. Butcher, M. Swamy, H. Yathirajan, K. Mohana, B. Narayana
{"title":"Crystal Structure of Methyl 2-(Benzyloxy)benzoate","authors":"J. Jasinski, R. Butcher, M. Swamy, H. Yathirajan, K. Mohana, B. Narayana","doi":"10.2116/ANALSCIX.24.X273","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X273","url":null,"abstract":"The title compound, C15H14O3, crystallizes in the monoclinic space group P21/c with unit-cell parameters a = 12.8201(9), b = 12.3985(11), c = 7.6257(6)A, β = 90.930(9)°, Z = 4. The dihedral angle between the mean planes of the methyl-2benzoate ring and the benzyloxy ring is 8.0(2)°. Intermolecular hydrogen-bonding C-H…O interactions and π-π stacking interactions between nearby benzoate rings influence the twist angle between these two groups, and help to stabilize the crystal packing in the unit cell.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74241323","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}
引用次数: 0
Synthesis and Crystal Structure of Tetraquaorotatonickel(II) Monohydrate 四氯代一水合镍的合成及晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X211
O. Şahin, O. Büyükgüngör, D. A. Köse, B. Zümreoğlu-Karan
{"title":"Synthesis and Crystal Structure of Tetraquaorotatonickel(II) Monohydrate","authors":"O. Şahin, O. Büyükgüngör, D. A. Köse, B. Zümreoğlu-Karan","doi":"10.2116/ANALSCIX.24.X211","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X211","url":null,"abstract":"The title compound, tetraquaorotatonickel(II) monohydrate, C5H12N2O9Ni, crystallizes in the monoclinic space group P1 with the following unit-cell parameters: a = 7.2282(4)A, b = 8.2959(4)A, c = 10.0611(5)A, α = 80.115(4)°, β = 70.479(4)°, γ = 65.779(4)° and Z = 2. The NiII ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand and four aqua ligands in a distorted octahedral geometry. Intermolecular N-H…O and O-H…O hydrogen bonds produce R22(8), R22(12), R22(16), R32(8), R43(8) and R44(12) rings, which lead to a one-dimensional polymeric chains. An extensive three-dimensional network of N-H…O and O-H…O hydrogen bonds, π-π and N-H…π interactions are responsible for crystal stabilization.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"76 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74459590","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}
引用次数: 1
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