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Hydrogen-bonding Patterns in Pyrimethaminium Picolinate 吡啶甲酸乙胺中的氢键模式
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X251
K. Balasubramani, P. Muthiah
{"title":"Hydrogen-bonding Patterns in Pyrimethaminium Picolinate","authors":"K. Balasubramani, P. Muthiah","doi":"10.2116/ANALSCIX.24.X251","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X251","url":null,"abstract":"The title compound was prepared by reacting pyrimethamine [2,4-diamino-5-(p-chlorophenyl)-6-ethyl pyrimidine] and picolinic acid, [C12H14ClN4, C6H4NO2] in methanol. It crystallizes in the monoclinic P21/c space group. The unit-cell parameters are a = 9.5731(2) b = 8.7449(2) c = 21.8582(5)A, β = 99.9590(10)°. The final R-value is 0.0662 for 8517 measured reflections. The asymmetric unit contains a pyrimethamine cation and a picolinate anion. The protonated N1 atom is hydrogen bonded to one of the oxygen atoms via a N-H…O hydrogen bond. The carboxyl oxygen atom bridges the 2-amino group and the 4-amino group on either side in addition to the base pairing to form a DADA array (D = donor & A = acceptor in hydrogen bonding) of quadruple hydrogen bonding. The crystal structure is further stabilized by C-H…O, C-H…N and aromatic stacking interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74361614","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
Bis[(N-salicylidene-N′-(2-hydroxyethyl)ethylenediamine)chromium(III)]-nitrate 国际清算银行[(N-salicylidene-N”——(2-hydroxyethyl)乙二胺)硝酸铬(III)
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X161
G. Swamy, K. Ravikumar
{"title":"Bis[(N-salicylidene-N′-(2-hydroxyethyl)ethylenediamine)chromium(III)]-nitrate","authors":"G. Swamy, K. Ravikumar","doi":"10.2116/ANALSCIX.24.X161","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X161","url":null,"abstract":"In the title compound, C22H30N5O7Cr, the chromium(III) atom adopts a distorted octahedral geometry. At the metal atom the ligands (L) are oriented in a meridional fashion. In the crystal lattice, the molecules are linked via N-H…O, O-H…O and C-H…O intermolecular interactions. In addition, the structure is further stabilized by C-H…π interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75425575","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
Synthesis and Structure of a Novel Two-dimensional Diphenic Acid (H2dpa) Zinc(II) Complex 一种新型二维二苯甲酸(H2dpa)锌(II)配合物的合成与结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X61
Juangang Wang, Rui Shen, Wei-Na Wu, Jincai Wu, N. Tang
{"title":"Synthesis and Structure of a Novel Two-dimensional Diphenic Acid (H2dpa) Zinc(II) Complex","authors":"Juangang Wang, Rui Shen, Wei-Na Wu, Jincai Wu, N. Tang","doi":"10.2116/ANALSCIX.24.X61","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X61","url":null,"abstract":"A novel tetrahedral coordinated zinc polymer was hydrothermally prepared and characterized. It was crystallized in the monoclinic system, space group P21/c with a = 12.8437(1)A, b = 5.9596(1)A, c = 17.2934(2)A, β = 104.057(4)°, V = 1284.06(18)A3 and Z = 4. The structure of the title complex consists of extended two-dimensional double helix chains.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"65 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75741622","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 Ethyl-1-phenyl-2-trimethylsilanyl-3-oxo-3H-Benzo[b]cyclobuta[d]pyran-2a(8bH)-carboxylate 乙基-1-苯基-2-三甲基硅基-3-氧- 3h -苯并[b]环丁基[d]吡喃-2a(8bH)-羧酸盐的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X49
H. Fun, S. Chantrapromma, Z. Li, Jian-hua Xu
{"title":"Crystal Structure of Ethyl-1-phenyl-2-trimethylsilanyl-3-oxo-3H-Benzo[b]cyclobuta[d]pyran-2a(8bH)-carboxylate","authors":"H. Fun, S. Chantrapromma, Z. Li, Jian-hua Xu","doi":"10.2116/ANALSCIX.24.X49","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X49","url":null,"abstract":"The title compound, C23H24O4Si, was synthesized by photo-induced reactions and characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group Pbca, with a=9.7299(2), b=19.6064(4), c=21.6264(5)A, V=4125.63(15)A3, Z=8 and Dx 1.264 g cm-3. The dihedral angle between the cyclobutene and the attached benzene ring is 38.04(13)°. The molecules are linked into an infinite chain along the a-axis. The crystal structure is stabilized by weak C-H…O and C-H…π interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"61 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75087634","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 Cyclohexylammonium Salt of the N-(2,2-Difluoro-2-phosphonoethanethioyl)aspartate: A Difluorinated N-(Phosphonoacetyl)- L -aspartate (PALA) Thio Analogue N-(2,2-二氟-2-膦乙烷乙基)天冬氨酸环己基铵盐的晶体结构:一种二氟化N-(膦乙酰基)- L -天冬氨酸(PALA)硫代类似物
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X293
N. Dupont, C. Barbey, E. Pfund, T. Lequeux, A. Navaza
{"title":"Crystal Structure of a Cyclohexylammonium Salt of the N-(2,2-Difluoro-2-phosphonoethanethioyl)aspartate: A Difluorinated N-(Phosphonoacetyl)- L -aspartate (PALA) Thio Analogue","authors":"N. Dupont, C. Barbey, E. Pfund, T. Lequeux, A. Navaza","doi":"10.2116/ANALSCIX.24.X293","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X293","url":null,"abstract":"The title compound, a cyclohexylammonium salt of N-(2,2-difluoro-2-phosphonoethanethioyl)aspartate, {(C6H4F2NO7PS)4-. 4[(C6H11-NH3)+]} crystallizes in the triclinic space group P1 with the following cell parameters: a = 11.335(2)A, b = 12.849(3)A, c = 14.353(3)A, α = 83.14(3)°, β = 86.75(3)°, γ = 84.81(3)°, V = 2064.7(7)A3, Z = 1 and Dx = 1.184 g cm-3. The structure was refined to a final R value of 0.0745 for 5790 reflections [I>2σ(I)]. This structure consists of two anionic N-(2,2-difluoro-2-phophonoethanethioyl)aspartate moieties and eight cationic cyclohexylammonium entities; among them, three are disordered. In addition, one water and one ethanol molecules are present. X-ray analysis shows that it possesses a sandwich-type layer structure, consisting of mutually stacking polar layers with an important hydrogen-bonding network and hydrophobic layers consisting of disordered cyclohexyl parts of cationic moieties.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"95 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74965637","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 the Neodymium Picrate Complex with a Novel Amide Type Tripodal Ligand 新型酰胺型三足配体苦味酸钕配合物的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X129
Zhenzhong Yan, Yu Tang, W. Dou, Hongrui Zhang, M. Tan
{"title":"Crystal Structure of the Neodymium Picrate Complex with a Novel Amide Type Tripodal Ligand","authors":"Zhenzhong Yan, Yu Tang, W. Dou, Hongrui Zhang, M. Tan","doi":"10.2116/ANALSCIX.24.X129","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X129","url":null,"abstract":"A solid complex of neodymium picrate with a novel amide-type tripodal ligand, 2,2′,2″-nitrilotris(3′-pyridinyl-methylaminoformylphenoxyl)triethylamine (L), has been prepared. An X-ray single-crystal diffraction analysis indicates that this complex was crystallized in the trigonal system, space group R3c with parameters a = b = 15.430(7)A, c = 112.448(7)A, α = β = 90.00°, γ = 120.00°, V = 23187(2)A3, Z = 6. The structure was refined to a final R1 of 0.0463. The coordination number around Nd(III) was nine, and the geometry of Nd(III) is a distorted tricapped trigonal prism. In the structure of the title complex, a 2D supramolecular network is formed by hydrogen bonds interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"6 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84316661","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
Molecular Structure of Mesitylammonium Tetrafluoroborate 四氟硼酸铵的分子结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X307
H. Reinke, I. Schicht, A. Schulz, A. Villinger
{"title":"Molecular Structure of Mesitylammonium Tetrafluoroborate","authors":"H. Reinke, I. Schicht, A. Schulz, A. Villinger","doi":"10.2116/ANALSCIX.24.X307","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X307","url":null,"abstract":"The title compound, MesNH3+BF4-·(CH3CN) (1) (Mes = 2,4,6-trimethylphenyl), crystallizes in the triclinic space group P1 with a = 8.5468(4), b = 12.9136(7), c = 13.2661(7)A, α = 64.303(3)°, β = 74.452(2)°, γ = 73.177(2)°, V = 1245.54(11)A3, Z = 2. The crystal packing is stabilized by strong interionic N-H…F and N-H…N hydrogen bonds between anions and cations, resulting in a three-dimensional network structure. One of the two tetrafluoroborate anions is disordered [site occupation factors 0.811(2) and 0.189(2)].","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84468016","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 2,6-Diethylphenylammonium Chloride 2,6-二乙基苯基氯化铵的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X141
W. Smirani, M. Rzaigui
{"title":"Crystal Structure of 2,6-Diethylphenylammonium Chloride","authors":"W. Smirani, M. Rzaigui","doi":"10.2116/ANALSCIX.24.X141","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X141","url":null,"abstract":"","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76926268","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 3,3,6-Trimethyl-3,4-dihydroisocoumarin 3,3,6-三甲基-3,4-二氢异香豆素的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X261
V. Gupta, J. Pallalia, D. I. Brahmbhatt, U. Pandya
{"title":"Crystal Structure of 3,3,6-Trimethyl-3,4-dihydroisocoumarin","authors":"V. Gupta, J. Pallalia, D. I. Brahmbhatt, U. Pandya","doi":"10.2116/ANALSCIX.24.X261","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X261","url":null,"abstract":"The title compound, 3,3,6-trimethyl-3,4-dihydroisocoumarin, C12H14O2, crystallizes into monoclinic space group P21/c with unit-cell parameters: a = 22.303(4), b = 7.0439(11), c = 22.589(4)A, β = 118.624(2)°, Z = 12. The crystal structure was solved by direct methods and refined to a final R-value of 0.0698 for 3521 observed reflections. There are three crystallographically independent molecules in the asymmetric unit. In molecules A and B the heterocyclic ring adopts a distorted half-chair conformation, whereas in molecule C the ring adopts a distorted sofa conformation. The C-H…O type of intermolecular hydrogen bonds and C-H…π weak interactions stabilize the molecules in the unit cell.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"106 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80988750","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 2-(4,7-Dimethylquinolin-2-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one 2-(4,7-二甲基喹啉-2-基)-3-(4-甲氧基苯基)-1,3-噻唑烷-4-酮的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X179
Ercan Aydemir, E. Şahin, T. Hökelek, M. Gümüş, F. Tugcu, S. Kaban
{"title":"Crystal Structure of 2-(4,7-Dimethylquinolin-2-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","authors":"Ercan Aydemir, E. Şahin, T. Hökelek, M. Gümüş, F. Tugcu, S. Kaban","doi":"10.2116/ANALSCIX.24.X179","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X179","url":null,"abstract":"The title compound, C21H20N2O2S, consists of planar quinoline, phenyl and thiazole rings. The quinoline ring is oriented with respect to the phenyl and thiazole rings at dihedral angles of 87.22(5)° and 81.05(4)°, respectively. It belongs to the space group P1 with cell parameters a = 7.9709(4)A, b = 9.7038(3)A, c = 12.8167(5)A, α = 78.484(2)°, β = 76.584(3)° and γ = 78.126(4)°. In the crystal structure, intermolecular C-H…N hydrogen bonds link the molecules into R22(14) centrosymmetric dimers.","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":"82133634","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
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