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Crystal Structure of Guanabenz Acetate 醋酸瓜纳苯酯的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X5
R. Tanaka, N. Hirayama
{"title":"Crystal Structure of Guanabenz Acetate","authors":"R. Tanaka, N. Hirayama","doi":"10.2116/ANALSCIX.24.X5","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X5","url":null,"abstract":"The crystal of the title antihypertension agent, C8H9Cl2N4·C2H3O2, belongs to space group Pbca with the cell dimensions a = 13.389(5), b = 11.007(6), and c = 17.342(5)A. The final R value is 0.060. The planar hydrazinecarboximidamide moiety is slightly inclined to the phenyl group. The acetate ion plays an important role to connect guanabenz molecules together by hydrogen bonds in the crystal.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87077988","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
X-ray Structure of a 3,4-Dihydropyrrolo[1,2-b]pyridazine Derivative 3,4-二氢吡咯[1,2-b]吡啶衍生物的x射线结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X185
M. Caira, F. Dumitrascu, M. Popa
{"title":"X-ray Structure of a 3,4-Dihydropyrrolo[1,2-b]pyridazine Derivative","authors":"M. Caira, F. Dumitrascu, M. Popa","doi":"10.2116/ANALSCIX.24.X185","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X185","url":null,"abstract":"The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group P21/n with a = 7.9910(2)A, b = 13.4005(3)A, c = 11.7950(3)A, β = 90.213(1)°, and Z = 4. A puckering analysis indicated a screw-boat conformation for the six-membered ring with the torsion angle C2-C3-C4-C5 having a magnitude of 34.5(2)°.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"41 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75763685","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 N-2-Methoxyphenyl-2-oxo-5-nitro-1-benzylidene-methylamine n -2-甲氧基苯基-2-氧-5-硝基-1-苄基-甲胺的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X237
H. Tanak, Ferda Erşahin, E. Ağar, O. Büyükgüngör, M. Yavuz
{"title":"Crystal Structure of N-2-Methoxyphenyl-2-oxo-5-nitro-1-benzylidene-methylamine","authors":"H. Tanak, Ferda Erşahin, E. Ağar, O. Büyükgüngör, M. Yavuz","doi":"10.2116/ANALSCIX.24.X237","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X237","url":null,"abstract":"The crystal structure of the title compound, C14H12N2O4, was determined by a single-crystal X-ray diffraction technique, (Fig. 1). The title compound crystallizes in the orthorhombic space group Pca21 with the following unit-cell parameters: a = 18.4391(15)A, b = 4.2710(2)A, c = 32.2187(16)A and V = 2537.3(3)A3. The crystal data were solved with a final R = 0.062 using 2394 independent reflections. There are two molecules in the asymmetric unit. The title compound adopts the keto-amine tautomeric form. In the structure, there are N-H…O and C-H…O intramolecular hydrogen bonds and C-H…O intermolecular hydrogen bonds.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81541851","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: 8
Crystal Structure of 2,4,9-Trimethylpyrido[3,2-c]coumarin 2,4,9-三甲基吡啶[3,2-c]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.X203
P. Kanwal, V. Gupta, D. I. Brahmbhatt, Ankit R. Kaneria
{"title":"Crystal Structure of 2,4,9-Trimethylpyrido[3,2-c]coumarin","authors":"P. Kanwal, V. Gupta, D. I. Brahmbhatt, Ankit R. Kaneria","doi":"10.2116/ANALSCIX.24.X203","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X203","url":null,"abstract":"The title compound, 2,4,9-trimethylpyrido[3,2-c]coumarin, crystallizes in the triclinic space group P1 with the following unit-cell parameters: a = 9.4892(5), b = 10.4245(6), c = 7.7307(4)A, α = 94.556(3), β = 120.824(3), γ = 110.532(3)°, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined by full-matrix least-squares procedures to a final R-value of 0.0411 for 1658 observed reflections. Molecules are linked into centrosymmetric dimers by means of paired C-H…O hydrogen bonds. The crystal structure is stabilized by a number of π-π stacking interactions.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77940413","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 4-Bromobenzohydrazide 4-溴苯并肼的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X103
U. Ashiq, R. Jamal, M. Mahroof-Tahir, A. Keramidas, Z. Maqsood, K. Khan, M. Tahir
{"title":"Crystal Structure of 4-Bromobenzohydrazide","authors":"U. Ashiq, R. Jamal, M. Mahroof-Tahir, A. Keramidas, Z. Maqsood, K. Khan, M. Tahir","doi":"10.2116/ANALSCIX.24.X103","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X103","url":null,"abstract":"The title compound was synthesized and its crystal structure was determined by X-ray diffraction analysis. The compound is monoclinic, space group P21/a with Z = 4. The unit-cell dimensions are a = 12.287(2)A, b = 3.8287(5)A, c = 16.0936(19)A, β = 97.409° and V = 750.77(19)A3. The R value is 0.0313 for 1223 observed reflections. Intermolecular hydrogen bonds of the type N-H…O and N-H…N were observed in the structure.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"80 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86806333","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: 4
Crystal Structure of Bis(4-methoxybenzoylmethylenetriparatolyl-phosphonium μ-Iodo(diiodomercurate)) Complex, C30H30HgI3O2P 双(4-甲氧基苯甲酰亚甲基三对苯二酚-磷μ-碘(二碘氨基磺酸))配合物C30H30HgI3O2P的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X111
S. Sabounchei, V. Jodaian, A. Dadrass, Hassan Nemattalab, H. Khavasi
{"title":"Crystal Structure of Bis(4-methoxybenzoylmethylenetriparatolyl-phosphonium μ-Iodo(diiodomercurate)) Complex, C30H30HgI3O2P","authors":"S. Sabounchei, V. Jodaian, A. Dadrass, Hassan Nemattalab, H. Khavasi","doi":"10.2116/ANALSCIX.24.X111","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X111","url":null,"abstract":"The crystal structure of a colorless complex of [CH3OC6H4COCH2P(p·tolyl)3]2[Hg2I6] was determined by the X-ray diffraction method. All atoms occupy general positions in the monoclinic space group, P21/n and have the following unit-cell dimensions: a = 11.5933(11)A, b = 22.842(3)A, c = 12.2271(12)A, β = 103.719(8)°, Z = 4 and V = 3145.5(6)A3. The final R value is 0.0582.","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":"87285824","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 Bis(1,10-phenanthroline-5,6-dione)rhodium(I) Hexafluorophosphate, [Rh(phen-dione)2]PF6 双(1,10-菲罗啉-5,6-二酮)铑(I)六氟磷酸，[Rh(苯-二酮)2]PF6的合成与晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X287
S. R. Hosseinian, S. Fatemi, H. Hadadzadeh, M. Weil, A. D. Khalaji
{"title":"Synthesis and Crystal Structure of Bis(1,10-phenanthroline-5,6-dione)rhodium(I) Hexafluorophosphate, [Rh(phen-dione)2]PF6","authors":"S. R. Hosseinian, S. Fatemi, H. Hadadzadeh, M. Weil, A. D. Khalaji","doi":"10.2116/ANALSCIX.24.X287","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X287","url":null,"abstract":"The title compound, [Rh(phen-dione)2]PF6, where phen-dione is 1,10-phenanthroline-5,6-dione, crystallizes in the monoclinic space group P21/c (no. 14), with a = 9.5859(4)A, b = 17.6272(8)A, c = 13.5252(6)A, β = 91.025(1)°, V = 2285.02(17)A3, Z = 4, T = 100 K, R(F) = 0.0329, wR(F2) = 0.0894. The coordination polyhedron about the Rh(I) atom is a distorted [RhN4] bisphenoid with two independent phen-dione as ligands.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"79 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85491133","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: 3
Crystal Structure of ccc-Bis(5-methyl-2-(phenylazo)pyridine)-dichlororuthenium(II) cc-双(5-甲基-2-(苯基偶氮)吡啶)-二氯钌(II)的晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X171
K. Hansongnern, Uraiwan Changsaluk, C. Pakawatchai
{"title":"Crystal Structure of ccc-Bis(5-methyl-2-(phenylazo)pyridine)-dichlororuthenium(II)","authors":"K. Hansongnern, Uraiwan Changsaluk, C. Pakawatchai","doi":"10.2116/ANALSCIX.24.X171","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X171","url":null,"abstract":"The title compound, ccc-[Ru(5mazpy)2Cl2] (5mazpy = 5-methyl-2-(phenylazo)pyridine) crystallized in monoclinic, space group P21/c with unit-cell parameters: a = 14.348(1)A, b = 12.705(1)A, c = 13.968(1)A, β = 111.18(1)°, Z = 4. According to the pairs of Cl, N(pyridine), and N(azo) coordinating with the Ru(II) ion, this complex has a cis-cis-cis (ccc) configuration. The Ru-N(azo) distances are relatively shorter than the Ru-N(pyridine) distances, due to strong π-backbonding of the azo moiety.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"41 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80642000","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 a Dimethyltin Derivative of 1,4-Dithioerythritol 1,4-二硫代赤藓糖醇二甲基锡衍生物的合成及晶体结构
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X37
Chun-lin Ma, Zhifo Guo, Ru-fen Zhang
{"title":"Synthesis and Crystal Structure of a Dimethyltin Derivative of 1,4-Dithioerythritol","authors":"Chun-lin Ma, Zhifo Guo, Ru-fen Zhang","doi":"10.2116/ANALSCIX.24.X37","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X37","url":null,"abstract":"The title complex, [(CH3)2(HOC2H5)Sn(C4H6O2S2)Sn(HOC2H5)(CH3)2], was synthesized starting from dimethyltin dichloride, 1,4-dithioerythritol and sodium ethoxide. The crystal structure was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P21/n with a = 7.9282(6)A, b = 11.3888(9)A, c = 11.0228(9)A, β = 99.594(3)°, Z = 2, V = 981.36(13)A3. Its crystal structure was determined and refined to a final R = 0.0232 for 1730 independent reflections. The complex is the symmetric dinuclear unit made up of two distorted trigonal bipyramids.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91087089","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 Crown Compound: (S)-2-Isopropyl-N-benzyl-(benzo-monoaza-15-crown-5) 一种冠状化合物的晶体结构:(S)-2-异丙基- n-苄基-(苯并单氮-15-冠-5)
Analytical Sciences: X-ray Structure Analysis Online Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X107
N. Dogan, S. Özbey, Y. Turgut
{"title":"Crystal Structure of a Crown Compound: (S)-2-Isopropyl-N-benzyl-(benzo-monoaza-15-crown-5)","authors":"N. Dogan, S. Özbey, Y. Turgut","doi":"10.2116/ANALSCIX.24.X107","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X107","url":null,"abstract":"","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":"78681476","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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