Pub Date : 2008-01-01DOI: 10.2116/ANALSCIX.24.X151
Işın Kılıç, A. Agar, Ferda Erşahin, Ş. Işık
The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C13H10BrNO2, is in a zwitterionic form with a strong intramolecular N+-H…O- hydrogen bond. The title compound crystallizes in the monoclinic space group P21/c with the following unit-cell parameters: a = 12.6746(11)A, b = 12.8195(15)A, c = 7.1576(7)A, β = 94.993(7)° and V = 1158.6(2)A3. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).
标题化合物(E)-4-溴-2-[(4-羟基苯基)亚甲基]苯基-1-酸盐，C13H10BrNO2，呈两性离子形式，具有很强的分子内N+- h…O-氢键。该化合物在单斜空间群P21/c中结晶，晶胞参数为:a = 12.6746(11) a, b = 12.8195(15) a, c = 7.1576(7) a， β = 94.993(7)°，V = 1158.6(2)A3。该化合物的晶体结构用直接法求解，在I > 2σ(I)下反射2285次，最终R = +0.0362。
{"title":"Crystal Structure of (E)-4-Bromo-2-[(4-hydroxyphenyl)iminomethyl]-phenylen-1-olate","authors":"Işın Kılıç, A. Agar, Ferda Erşahin, Ş. Işık","doi":"10.2116/ANALSCIX.24.X151","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X151","url":null,"abstract":"The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C13H10BrNO2, is in a zwitterionic form with a strong intramolecular N+-H…O- hydrogen bond. The title compound crystallizes in the monoclinic space group P21/c with the following unit-cell parameters: a = 12.6746(11)A, b = 12.8195(15)A, c = 7.1576(7)A, β = 94.993(7)° and V = 1158.6(2)A3. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82816070","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.X219
O. Şahin, O. Büyükgüngör, S. Şaşmaz, Nurhan Gümrükçüoğlu, C. Kantar
{"title":"Synthesis and Crystal Structure of N-(3-Methyl-5-phenyl-3,5-dihydro-4H- 1,2,4-triazol-4-yl)benzamide","authors":"O. Şahin, O. Büyükgüngör, S. Şaşmaz, Nurhan Gümrükçüoğlu, C. Kantar","doi":"10.2116/ANALSCIX.24.X219","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X219","url":null,"abstract":"","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"33 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91512683","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}
Diazaphospholidines have the ability to bind with metals and to inhibit cholinesterase (ChE), an enzyme that has a vital role in nerve impulse transition. The crystal structure of 1,3-bis(p-methylphenyl)-2-flouro-1,3,2-diazaphospholidine-2-oxide (1) was determind using single-crystal X-ray diffraction. The five-membered ring containing phosphorus, nitrogen and carbon atoms is slightly puckered. The coordination environment around the phosphorus atom in this compound is approximately tetrahedral.
{"title":"Crystal Structure of 1,3-Bis(p-methylphenyl)-2-flouro-1,3,2-diazaphospholidine-2-oxide","authors":"K. Gholivand, F. Mojahed","doi":"10.2116/ANALSCIX.24.X17","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X17","url":null,"abstract":"Diazaphospholidines have the ability to bind with metals and to inhibit cholinesterase (ChE), an enzyme that has a vital role in nerve impulse transition. The crystal structure of 1,3-bis(p-methylphenyl)-2-flouro-1,3,2-diazaphospholidine-2-oxide (1) was determind using single-crystal X-ray diffraction. The five-membered ring containing phosphorus, nitrogen and carbon atoms is slightly puckered. The coordination environment around the phosphorus atom in this compound is approximately tetrahedral.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83704777","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.X197
Chitra Gurnani, Seema Maheshwari, R. Ratnani, J. Drake
The structural chemistry of metal complexes with bis(thiophosphoryl) and bis(thiophosphinyl) disulfides has been extensively reviewed.1 The reactive –S–S– functional moiety determines the chemical properties of these thermally stable disulfides, and their photolytic properties are important in photochemically activated reactions. Bis(thiophosphoryl)disulfides act as potentially significant stabilizers for polymer composition, as vulcanization accelerators, and as antioxidants. These disulfides also act as antiwear additives in ash-less and extreme pressure engine lubricants, and are involved in the mechanism of the antioxidant action of metal dithiophosphate lubricant oil additives. Some bis(thiophosphoryl)disulfides show fungicidal activity. Due to the significance of the disulfide bond in natural products, the physiochemical properties of –S–S– linkages have been extensively studied over the last few decades. Molecular structures of several organothiophosphoryl disulfides have been determined, including [{(i-Pr)O}2PS2]2, [(PhO)2PS2]2, and [OCMe2CMe2OPS2]2 which provide for comparisons with the structure of bis[O,O¢-di(p-tolyl)thiophosphoryl]disulfide, [(p-MeC6H4O)2PS2]2. The title compound was prepared by a literature method.5 An orange block crystal of [(p-MeC6H4O)2PS2]2 was mounted in a capillary within a glove box, thus maintaining a dry, O2-free environment for each crystal. No statistically significant change over the duration of the data collection was observed. Experimental details and results are given in Table 1. All of the non-hydrogen atoms were treated anisotropically. Hydrogen atoms were included at idealized positions with isotropic thermal parameters. The distances and bond angles are given in Table 2. The ORTEP diagram in Fig. 2 shows the previously described2 essentially planar zigzag array of the S–P–S–S–P–S linkages X-ray Structure Analysis Online
双(硫代膦基)和双(硫代膦基)二硫化物金属配合物的结构化学研究已经得到了广泛的综述活性的- s - s -功能片段决定了这些热稳定的二硫化物的化学性质，它们的光解性质在光化学活化反应中很重要。双(硫代磷酰)二硫化物作为聚合物组合物潜在的重要稳定剂，作为硫化促进剂和抗氧化剂。这些二硫化物还在无灰和极压发动机润滑油中作为抗磨添加剂，并参与金属二硫代磷酸盐润滑油添加剂抗氧化作用的机理。有些硫代磷二硫化物有杀真菌活性。由于二硫键在天然产物中的重要意义，在过去的几十年里，人们对- s - s -键的理化性质进行了广泛的研究。已测定了几种有机硫代磷基二硫化物的分子结构，包括[{(i-Pr)O}2PS2]2、[(PhO)2PS2]2和[OCMe2CMe2OPS2]2，可与双[O,Oⅱ-二(对甲基)硫代磷基]二硫化物、[(p-MeC6H4O)2PS2]2的结构进行比较。采用文献法合成了标题化合物将[(p- mec6h40o)2PS2]2的橙色块晶体安装在手套箱内的毛细管中，从而为每个晶体保持干燥，无o2的环境。在数据收集期间没有观察到统计学上显著的变化。实验细节和结果见表1。所有的非氢原子都进行了各向异性处理。氢原子被包括在具有各向同性热参数的理想位置。键距和键角见表2。图2中的ORTEP图显示了先前描述的s - p - s - s - s - p - s键的基本平面之字形阵列
{"title":"Crystal Structure of Bis[O,O′-di(p-tolyl)thiophosphoryl]disulfide, [(p-MeC6H4O)2PS2]2","authors":"Chitra Gurnani, Seema Maheshwari, R. Ratnani, J. Drake","doi":"10.2116/ANALSCIX.24.X197","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X197","url":null,"abstract":"The structural chemistry of metal complexes with bis(thiophosphoryl) and bis(thiophosphinyl) disulfides has been extensively reviewed.1 The reactive –S–S– functional moiety determines the chemical properties of these thermally stable disulfides, and their photolytic properties are important in photochemically activated reactions. Bis(thiophosphoryl)disulfides act as potentially significant stabilizers for polymer composition, as vulcanization accelerators, and as antioxidants. These disulfides also act as antiwear additives in ash-less and extreme pressure engine lubricants, and are involved in the mechanism of the antioxidant action of metal dithiophosphate lubricant oil additives. Some bis(thiophosphoryl)disulfides show fungicidal activity. Due to the significance of the disulfide bond in natural products, the physiochemical properties of –S–S– linkages have been extensively studied over the last few decades. Molecular structures of several organothiophosphoryl disulfides have been determined, including [{(i-Pr)O}2PS2]2, [(PhO)2PS2]2, and [OCMe2CMe2OPS2]2 which provide for comparisons with the structure of bis[O,O¢-di(p-tolyl)thiophosphoryl]disulfide, [(p-MeC6H4O)2PS2]2. The title compound was prepared by a literature method.5 An orange block crystal of [(p-MeC6H4O)2PS2]2 was mounted in a capillary within a glove box, thus maintaining a dry, O2-free environment for each crystal. No statistically significant change over the duration of the data collection was observed. Experimental details and results are given in Table 1. All of the non-hydrogen atoms were treated anisotropically. Hydrogen atoms were included at idealized positions with isotropic thermal parameters. The distances and bond angles are given in Table 2. The ORTEP diagram in Fig. 2 shows the previously described2 essentially planar zigzag array of the S–P–S–S–P–S linkages X-ray Structure Analysis Online","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90429084","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 cobalt(III) azido complex, Na[Co(salen)(N3)2], contains a Co(III) cation in a distorted octahedral coordination. The equatorial plane of the octahedron is defined by two N and two O atoms from the tetradentate salen ligand, and the axial ligands belong to two terminal N atoms from two different azide anions. Via interactions between the Na+ cations and the N and O atoms of the ligands, the [Co(salen)(N3)2]- anions are connected into a polymeric structure, forming corrugated ribbons parallel to [100].
{"title":"Crystal Structure of the Salen Cobalt(III) Azido Complex Na[Co(salen)(N3)2]","authors":"M. Weil, A. D. Khalaji","doi":"10.2116/ANALSCIX.24.X19","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X19","url":null,"abstract":"The cobalt(III) azido complex, Na[Co(salen)(N3)2], contains a Co(III) cation in a distorted octahedral coordination. The equatorial plane of the octahedron is defined by two N and two O atoms from the tetradentate salen ligand, and the axial ligands belong to two terminal N atoms from two different azide anions. Via interactions between the Na+ cations and the N and O atoms of the ligands, the [Co(salen)(N3)2]- anions are connected into a polymeric structure, forming corrugated ribbons parallel to [100].","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75013242","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.X223
Caleb D. Martin, F. Appoh, C. Vogels, A. Decken, S. Westcott
The use of palladium complexes to catalyze the coupling of organoboron compounds with aryl or vinyl halides has become one of the most widely used tools in organic synthesis. The scope and utility of the Suzuki–Miyaura reaction has been the subject of several excellent reviews.1 The use of boronic acids in this cross coupling process is especially advantageous as these compounds are relatively nontoxic and thermally, airand moisture-stable.2 Numerous advances have been made to this reaction since its discovery. For instance, the use of aryl chlorides as substrates and the ability to conduct the reaction at low temperature and at low catalyst loading have greatly increased the versatility of the Suzuki–Miyaura cross coupling reaction. Catalyst development has also played a significant role in improving this reaction as traditional palladium complexes used to catalyze this transformation contain airsensitive phosphine ligands. In recent years, a considerable amount of research has also focused on designing new catalysts that can be used to carry out this reaction in alternative solvents.3 We report here on the synthesis and molecular structure of a palladium complex containing fluorinated benzylamines for its potential use in the Suzuki–Miyaura cross-coupling reaction. A suspension of PdCl2 (150 mg, 0.85 mmol) in MeOH (15 mL) was treated with NaCl (100 mg, 1.71 mmol) at RT and stirred for 1 h. A MeOH (2 mL) solution of 4fluorobenzylamine (212 mg, 1.69 mmol) was added dropwise to the reaction mixture and stirred for 1 h resulting in the formation of a yellow precipitate. The solid was collected by suction filtration and washed with MeOH (5 mL) and hexane (10 mL) to afford the title compound. Crystals were obtained by recrystallization from DMSO at RT. Yield: 290 mg (80%); m.p. = 495 – 497 K (decomposition). Spectroscopic NMR data (in DMSO-d6): 1H d: 7.50 (br m, 4H, Ar), 7.14 (br m, 4H, Ar), 3.97 (br s, 4H, CH2), 3.58 (br s, 4H, NH2); 13C{1H} d: 162.0 (d, JC-F = 240 Hz, CF), 135.1, 131.3 (d, JC-F = 8 Hz, Ar), 115.4 (d, JC-F = 21 Hz, Ar), 47.4 (CH2); 19F{1H} d: –115.3. FT-IR (Nujol): 3257, X-ray Structure Analysis Online
{"title":"Synthesis and Molecular Structure of trans-Dichlorodi((4-fluorophenyl)-methanamine)palladium(II)","authors":"Caleb D. Martin, F. Appoh, C. Vogels, A. Decken, S. Westcott","doi":"10.2116/ANALSCIX.24.X223","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X223","url":null,"abstract":"The use of palladium complexes to catalyze the coupling of organoboron compounds with aryl or vinyl halides has become one of the most widely used tools in organic synthesis. The scope and utility of the Suzuki–Miyaura reaction has been the subject of several excellent reviews.1 The use of boronic acids in this cross coupling process is especially advantageous as these compounds are relatively nontoxic and thermally, airand moisture-stable.2 Numerous advances have been made to this reaction since its discovery. For instance, the use of aryl chlorides as substrates and the ability to conduct the reaction at low temperature and at low catalyst loading have greatly increased the versatility of the Suzuki–Miyaura cross coupling reaction. Catalyst development has also played a significant role in improving this reaction as traditional palladium complexes used to catalyze this transformation contain airsensitive phosphine ligands. In recent years, a considerable amount of research has also focused on designing new catalysts that can be used to carry out this reaction in alternative solvents.3 We report here on the synthesis and molecular structure of a palladium complex containing fluorinated benzylamines for its potential use in the Suzuki–Miyaura cross-coupling reaction. A suspension of PdCl2 (150 mg, 0.85 mmol) in MeOH (15 mL) was treated with NaCl (100 mg, 1.71 mmol) at RT and stirred for 1 h. A MeOH (2 mL) solution of 4fluorobenzylamine (212 mg, 1.69 mmol) was added dropwise to the reaction mixture and stirred for 1 h resulting in the formation of a yellow precipitate. The solid was collected by suction filtration and washed with MeOH (5 mL) and hexane (10 mL) to afford the title compound. Crystals were obtained by recrystallization from DMSO at RT. Yield: 290 mg (80%); m.p. = 495 – 497 K (decomposition). Spectroscopic NMR data (in DMSO-d6): 1H d: 7.50 (br m, 4H, Ar), 7.14 (br m, 4H, Ar), 3.97 (br s, 4H, CH2), 3.58 (br s, 4H, NH2); 13C{1H} d: 162.0 (d, JC-F = 240 Hz, CF), 135.1, 131.3 (d, JC-F = 8 Hz, Ar), 115.4 (d, JC-F = 21 Hz, Ar), 47.4 (CH2); 19F{1H} d: –115.3. FT-IR (Nujol): 3257, X-ray Structure Analysis Online","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"220 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76286469","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 crystal structure of the thallium sulfate selenate tellurate Tl2[(S0.6Se0.4)O4]Te(OH)6 was determined with single-crystal X-ray diffraction data. The title compound crystallizes in the monoclinic system with the P21/c space group. The unit-cell dimensions at 298 K are a = 12.3580(10)A, b = 7.2310(10)A, c = 11.9860(10)A, β = 111.090(10)°, V = 999.33(19)A3, Dx = 5.029 g/cm3, and Z = 4. The R value is 0.047 for 1799 reflections. The anions are disposed in a number of sheets of pure (S,Se)O4 tetrahedra, alterning with sheets of pure Te(OH)6 octahedra. All of those planes are intercalated in a bidimensional arrangement by Tl+ cations.
用单晶x射线衍射测定了硫酸硒酸碲铊Tl2[(S0.6Se0.4)O4]Te(OH)6的晶体结构。标题化合物在具有P21/c空间基团的单斜晶系中结晶。298 K时的晶胞尺寸为a = 12.3580(10) a, b = 7.2310(10) a, c = 11.9860(10) a， β = 111.090(10)°，V = 999.33(19)A3, Dx = 5.029 g/cm3, Z = 4。1799次反射的R值为0.047。阴离子被放置在许多片的纯(S,Se)O4四面体中，与片的纯Te(OH)6八面体交替。所有这些平面都是由Tl+阳离子以二维排列插入的。
{"title":"Synthesis and Crystal Structure of Tl2[(S0.6Se0.4)O4]Te(OH)6","authors":"M. Abdelhedi, M. Dammak, A. Kolsi, A. Cousson","doi":"10.2116/ANALSCIX.24.X93","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X93","url":null,"abstract":"The crystal structure of the thallium sulfate selenate tellurate Tl2[(S0.6Se0.4)O4]Te(OH)6 was determined with single-crystal X-ray diffraction data. The title compound crystallizes in the monoclinic system with the P21/c space group. The unit-cell dimensions at 298 K are a = 12.3580(10)A, b = 7.2310(10)A, c = 11.9860(10)A, β = 111.090(10)°, V = 999.33(19)A3, Dx = 5.029 g/cm3, and Z = 4. The R value is 0.047 for 1799 reflections. The anions are disposed in a number of sheets of pure (S,Se)O4 tetrahedra, alterning with sheets of pure Te(OH)6 octahedra. All of those planes are intercalated in a bidimensional arrangement by Tl+ cations.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72893393","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.X169
H. Golchoubian
The title compound was synthesized and characterized by single-crystal X-ray diffraction. This complex was solved in the tetragonal system, space group P41212, with the following unit-cell parameters: a = 13.6010(3)A, c = 13.1885(6)A, Z = 4, V = 2439.70(13)A3. The final R value was R1 = 0.0259 for 27567 measured reflections.
合成了标题化合物，并用单晶x射线衍射对其进行了表征。该配合物在空间群P41212的四边形体系中求解，单元胞参数为:a = 13.6010(3) a, c = 13.1885(6) a, Z = 4, V = 2439.70(13)A3。对于27567个实测反射，最终R值为R1 = 0.0259。
{"title":"Crystal Structure of a New Mixed-Chelate Complex of [Cu(diamine)(acac)]ClO4","authors":"H. Golchoubian","doi":"10.2116/ANALSCIX.24.X169","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X169","url":null,"abstract":"The title compound was synthesized and characterized by single-crystal X-ray diffraction. This complex was solved in the tetragonal system, space group P41212, with the following unit-cell parameters: a = 13.6010(3)A, c = 13.1885(6)A, Z = 4, V = 2439.70(13)A3. The final R value was R1 = 0.0259 for 27567 measured reflections.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73845342","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.X165
T. Akimoto, H. Hara, T. Nakano,, N. Hirayama
The crystal of the title compound, C14H18N2OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)A, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.
标题化合物C14H18N2OSi晶体属于空间群P1，胞元尺寸为a = 6.2639(3)， b = 10.818(1)， c = 12.085(1) a， α = 69.976(4)， β = 76.959(5)， γ = 81.566(3)°。最终R值为0.0486。异恶唑啉环呈包络构象。异恶唑啉环与苯基环的二面角为103.9(1)°。桥接异恶唑啉环和三甲基硅基的Si-C键明显长于其他三个Si-C键。
{"title":"Crystal Structure of (4SR,5RS)-5-(4-Cyanophenyl)-4-trimethylsilyl-3-methylisoxazoline","authors":"T. Akimoto, H. Hara, T. Nakano,, N. Hirayama","doi":"10.2116/ANALSCIX.24.X165","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X165","url":null,"abstract":"The crystal of the title compound, C14H18N2OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)A, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73923862","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.X215
S. Zouari, F. Zouari, N. Chniba-Boudjada, P. Bordet
The salt 1-2 diphenyl ethylenediammonium chloride crystallizes at room temperature in the monoclinic system with polar space group P21; the unit-cell dimensions are: a = 8.720(2), b = 6.243(2), c = 13.972(5)A, β = 106.67(3)° with Z = 2. The structure consists of [C14H18N2]2+ cations and isolated chlorine anions. These entities are linked together through N-H…Cl hydrogen bonds, forming a three-dimentional network.
1-2二苯乙二氯化铵盐在室温下在极性空间群P21的单斜晶系中结晶;单元胞尺寸为:a = 8.720(2)， b = 6.243(2)， c = 13.972(5) a， β = 106.67(3)°，Z = 2。该结构由[C14H18N2]2+阳离子和分离的氯阴离子组成。这些实体通过N-H…Cl氢键连接在一起，形成一个三维网络。
{"title":"Synthesis and Crystal Structure of 1-2 Diphenyl ethylenediammonium Chloride","authors":"S. Zouari, F. Zouari, N. Chniba-Boudjada, P. Bordet","doi":"10.2116/ANALSCIX.24.X215","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X215","url":null,"abstract":"The salt 1-2 diphenyl ethylenediammonium chloride crystallizes at room temperature in the monoclinic system with polar space group P21; the unit-cell dimensions are: a = 8.720(2), b = 6.243(2), c = 13.972(5)A, β = 106.67(3)° with Z = 2. The structure consists of [C14H18N2]2+ cations and isolated chlorine anions. These entities are linked together through N-H…Cl hydrogen bonds, forming a three-dimentional network.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74041020","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}
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