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Crystal Structure of N-(4-Chloro-2-hydroxyphenyl)-5-methoxysalicylaldimine N-(4-氯-2-羟基苯基)-5-甲氧基水杨醛二胺的晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X145
A. Tavman
The crystal structure of N-(4-chloro-2-hydroxyphenyl)-5-methoxysalicylaldimine was determined by X-ray diffraction at room temperature. The compound crystallizes in an orthorhombic system, and space group P212121. Unit-cell dimensions are the following: a = 7.3074(5)A, b = 8.3166(7)A, c = 21.782(2)A, V = 1323.7(2)A3, Z = 4. The molecule is non-planar and twisted around a C-N single bond. The molecule has N…H-O type intramolecular hydrogen bonding.
采用室温x射线衍射法测定了N-(4-氯-2-羟基苯基)-5-甲氧基水杨醛二胺的晶体结构。该化合物结晶为正交晶系,空间群为P212121。单元格尺寸如下:a = 7.3074(5) a, b = 8.3166(7) a, c = 21.782(2) a, V = 1323.7(2)A3, Z = 4。这种分子是非平面的,绕着一个碳氮单键旋转。该分子具有N…H-O型分子内氢键。
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引用次数: 1
Synthesis and Crystal Structure of Cd3(dppz)2(cis-chdc)2(trans-chdc)[dppz = dipyrido[3,2-a:2′,3′-c]phenazine and chdc = 1,4-cyclohexanedicarboxylate] Cd3(dppz)2(顺式-chdc)2(反式-chdc)[dppz =二吡啶[3,2-a:2′,3′-c]吩那嗪和chdc = 1,4-环己二羧酸盐]的合成与晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X221
J. Han, De-li Liu, P. Gao, Ning Li
The coordination polymer Cd3(dppz)2(cis-chdc)2(trans-chdc) (dppz = dipyrido[3,2-a:2′,3′-c]phenazine and chdc = 1,4-cyclohexanedicarboxylate) (1), with the formula C60H50Cd3N8O12 was synthesized and the crystal structure was determined by single-crystal X-ray diffraction. The complex belongs to a triclinic system, space group P1 with a = 8.6338(17)A, b = 10.774(2)A, c = 14.872(3)A, α = 77.23(3)°, β = 81.77(3)°, γ = 82.80(3)°. The chdc2- carboxylates bridge the Cd(II) cations to form rare trinuclear Cd(II) clusters. The cis-chdc2- ligands are held together by the trinuclear Cd(II) clusters to generate a double-stranded chain. Further, the trans-chdc2- ligands bridge adjacent double-stranded chains to yield an interesting two-dimensional framework.
合成了配位聚合物Cd3(dppz)2(顺式-chdc)2(反式-chdc) (dppz =二吡啶[3,2-a:2 ',3 ' -c]非那嗪,chdc = 1,4-环己二羧酸盐)(1),分子式为C60H50Cd3N8O12,并通过单晶x射线衍射测定了其晶体结构。该配合物属于三斜体系,空间群P1, a = 8.6338(17) a, b = 10.774(2) a, c = 14.872(3) a, α = 77.23(3)°,β = 81.77(3)°,γ = 82.80(3)°。chdc2-羧酸桥接Cd(II)阳离子,形成罕见的三核Cd(II)簇。顺式chdc2-配体由三核Cd(II)簇结合在一起,形成双链。此外,反式chdc2-配体桥接相邻的双链链,产生一个有趣的二维框架。
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引用次数: 0
Synthesis and crystal structure of 6-p-hydroxyphenyl-5,6-dihydrobenzoimidazo[1,2-c]quinazoline. 6-对羟基苯基-5,6-二氢苯并咪唑[1,2-c]喹唑啉的合成与晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X39
S. Naveen, Rita Bhattacharjee, V. Gayathri, S. Anandalwar, J. S. Prasad
The title compound, C20H15N3O, was synthesized and the structure was investigated by X-ray crystallography. The compound crystallizes in the triclinic crystal class in the space group P1 with cell parameters a = 7.724(6)A, b = 9.059(6)A, c = 12.186(1)A, α = 78.588(5)°, β = 73.630(4)°, γ = 70.924(5)° Z = 2. The dihydropyrimidine ring in the quinazoline moiety is in an skew-boat conformation. The structure exhibits intermolecular hydrogen bonds of the type N-H…O and O-H…N.
合成了标题化合物c20h15n30o,并用x射线晶体学对其结构进行了研究。该化合物在空间群P1中结晶为三斜晶类,晶胞参数为a = 7.724(6) a, b = 9.059(6) a, c = 12.186(1) a, α = 78.588(5)°,β = 73.630(4)°,γ = 70.924(5)°。喹唑啉部分的二氢嘧啶环呈斜船状构象。该结构具有N- h…O和O- h…N型分子间氢键。
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引用次数: 2
Synthesis and Crystal Structure of Di-p-bromobenezenesulfonyl-macluraxanthone 二对溴苯磺酰基大杉酮的合成及晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X71
N. Boonnak, S. Chantrapromma, Hoong-Kun Fun, Chatchanok Karalai
The title compound was synthesized and characterized by single crystal X-ray diffraction. The compound crystallizes in the triclinic space group P1; a = 7.4092(5), b = 13.9154(11), c = 16.9139(11)A, α = 101.576(4), β = 95.892(4) and γ = 99.859(4)°, V = 1666.1(2)A3, Z = 2 and Dx = 1.661 g cm-3. In the molecular structure, the xanthene ring system is essentially planar and the chromene ring adopts a screw boat conformation. The 1,1-dimethyl-2-propenyl substituent is planarly attached to the attached benzene ring whereas the two p-bromobenzenesulfonyl groups are bisectionally and axially attached to the attached benzene ring. O-H…O intramolecular hydrogen bonds were observed in the molecular structure. In the crystal packing, the molecules are linked by weak C-H…O intermolecular interactions forming chains along the c-axis. The crystal structure is stabilized by intramolecular O-H…O hydrogen bond and weak C-H…O intra-and intermolecular interactions.
合成了标题化合物,并用单晶x射线衍射对其进行了表征。化合物在三斜空间群P1中结晶;a = 7.4092(5), b = 13.9154(11), c = 16.9139(11) a, α = 101.576(4), β = 95.892(4), γ = 99.859(4)°,V = 1666.1(2)A3, Z = 2, Dx = 1.661 g cm-3。在分子结构上,杂蒽环体系基本上是平面的,而铬烯环则是螺旋船构象。1,1-二甲基-2-丙烯基取代基平面连接在苯环上,而两个对溴苯磺酰基则是轴向对分连接在苯环上。在分子结构中观察到O- h…O分子内氢键。在晶体填料中,分子通过弱的C-H…O分子间相互作用形成沿c轴的链。分子内的O- h…O氢键和分子间的弱C-H…O相互作用稳定了晶体结构。
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引用次数: 0
Synthesis and Crystal Structure of Tetraethylammonium Tris(1,10-phenanthroline)manganese(II) triperchlorate (Et4N)[Mn(phen)3](ClO4)3 三(1,10-菲罗啉)锰(II)三高氯酸四乙基铵(Et4N)[Mn(phen)3](ClO4)3的合成与晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X33
Cheng-Bing Ma, Changneng Chen, Qiutian Liu
The title complex was serendipitously obtained by reacting imidazole-4,5-dicarboxylic acid, tetraethylammonium hydroxide, 1,10-phenanthroline, and manganese(II) perchlorate hexahydrate in ethanol-water mixed solvent. It crystallizes in the monoclinic system, space group Cc with a = 24.8043(6), b = 8.7973(2), c = 24.2475(2)A, β = 118.844(1)°, V = 4634.6(2)A3 and Z = 4. A most noteworthy structural feature is that two counterions, namely Et4N+ and ClO4- cocrystallize in the crystal lattice.
标题配合物是由咪唑-4,5-二羧酸、四乙基氢氧化铵、1,10-菲罗啉和六水高氯酸锰在乙醇-水混合溶剂中反应得到的。在单斜晶系中结晶,空间群Cc为a = 24.8043(6), b = 8.7973(2), c = 24.2475(2) a, β = 118.844(1)°,V = 4634.6(2)A3, Z = 4。最值得注意的结构特征是两个反离子,即Et4N+和ClO4-在晶格中共晶。
{"title":"Synthesis and Crystal Structure of Tetraethylammonium Tris(1,10-phenanthroline)manganese(II) triperchlorate (Et4N)[Mn(phen)3](ClO4)3","authors":"Cheng-Bing Ma, Changneng Chen, Qiutian Liu","doi":"10.2116/ANALSCIX.24.X33","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X33","url":null,"abstract":"The title complex was serendipitously obtained by reacting imidazole-4,5-dicarboxylic acid, tetraethylammonium hydroxide, 1,10-phenanthroline, and manganese(II) perchlorate hexahydrate in ethanol-water mixed solvent. It crystallizes in the monoclinic system, space group Cc with a = 24.8043(6), b = 8.7973(2), c = 24.2475(2)A, β = 118.844(1)°, V = 4634.6(2)A3 and Z = 4. A most noteworthy structural feature is that two counterions, namely Et4N+ and ClO4- cocrystallize in the crystal lattice.","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":"83397868","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 5-Methyl-2-(phenylazo)pyridine 5-甲基-2-(苯偶氮)吡啶的晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X99
K. Hansongnern, Uraiwan Changsaluk, C. Pakawatchai
The title compound, C12H11N3, was synthesized and characterized by X-ray diffraction analysis. In the molecule, the substituted pyridine ring is not coplanar with the azo group, and the angle between the pyridine ring and the azo plane is 7.6(2)°. However, the angle between the azo plane and the benzene ring is 9.7(2)°. The N=N distance is 1.228(2)A.
合成了标题化合物C12H11N3,并用x射线衍射分析对其进行了表征。在分子中,取代吡啶环与偶氮基团不共面,吡啶环与偶氮平面夹角为7.6(2)°。偶氮面与苯环的夹角为9.7(2)°。N=N距离为1.228(2)A。
{"title":"Crystal Structure of 5-Methyl-2-(phenylazo)pyridine","authors":"K. Hansongnern, Uraiwan Changsaluk, C. Pakawatchai","doi":"10.2116/ANALSCIX.24.X99","DOIUrl":"https://doi.org/10.2116/ANALSCIX.24.X99","url":null,"abstract":"The title compound, C12H11N3, was synthesized and characterized by X-ray diffraction analysis. In the molecule, the substituted pyridine ring is not coplanar with the azo group, and the angle between the pyridine ring and the azo plane is 7.6(2)°. However, the angle between the azo plane and the benzene ring is 9.7(2)°. The N=N distance is 1.228(2)A.","PeriodicalId":7796,"journal":{"name":"Analytical Sciences: X-ray Structure Analysis Online","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2008-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82615007","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 (S)-1-(4-Chlorobenzoyl)-3-(1-hydroxy-3-phenylpropan-2-yl)thiourea (S)-1-(4-氯苯甲酰基)-3-(1-羟基-3-苯丙基-2-基)硫脲的晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X59
Junke Wang, Zhijin Lu, J. Bai, Yi Pan
(S)-1-(4-Chlorobenzoyl)-3-(1-hydroxy-3-phenylpropan-2-yl)thiourea was synthesized and the crystal structure was determined by single-crystal X-ray diffractometry. The carbonyl and thiocarbonyl moieties are pointing in approximately opposite directions, The unit-cell dimensions are a = 7.2302(13)A, b = 7.4899(15)A, c = 16.265(3)A with α = 93.6190(12)°, β = 90.035(2)°, γ = 90.0520(13)° and V = 879.1(3)A.
合成了(S)-1-(4-氯苯甲酰基)-3-(1-羟基-3-苯丙基-2-基)硫脲,并用单晶x射线衍射法测定了其晶体结构。羰基和硫羰基部分大致指向相反的方向,单位胞尺寸为a = 7.2302(13) a, b = 7.4899(15) a, c = 16.265(3) a, α = 93.6190(12)°,β = 90.035(2)°,γ = 90.0520(13)°,V = 879.1(3) a。
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引用次数: 2
Crystal Structure of 1,3,6-Tribromocarbazole 1,3,6-三溴咔唑的晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X189
A. Cowley, D. R. Johnston, D. Kays, D. Watkin
The crystal structure properties of 1,3,6-tribromocarbazole (1) are: orthorhombic, space group Pna21 with a = 17.3110(3)A, b = 4.5608(2)A, c = 14.9606(2)A, V = 1181.17(6)A3, Z = 4, R1 = 0.0267, wR2 = 0.0594 for the 2677 reflections (I > 3σ(I)). The solid state structure of 1 consists of layers of stacked molecules, with hydrogen bonding between the N-H bonds and the Br atoms of molecules on neighbouring stacks (H…Br distances = 2.840(1)A).
1,3,6-三溴咔唑(1)的晶体结构性质为:正交,空间群Pna21,其中a = 17.3110(3) a, b = 4.5608(2) a, c = 14.9606(2) a, V = 1181.17(6)A3, Z = 4, R1 = 0.0267, wR2 = 0.0594 (I > 3σ(I))。1的固态结构由分子层堆叠而成,N-H键与相邻层上分子的Br原子之间存在氢键(H…Br距离= 2.840(1)A)。
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引用次数: 0
Synthesis and Crystal Structure of Aqua[(E)-2-(2-((2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-ylimino)methyl)phenoxy)acetato]-triphenyltin(IV) 水[(E)-2-(2-(2,3-二甲基-5-氧-1-苯基-2,5-二氢- 1h -吡唑-4-酰基)甲基)苯氧基)乙酸]-三苯基锡(IV)的合成及晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X73
Xiao-Niu Fang, Jian-Hong Wu, Meng-Qiang Zhou, Ji-Wu Wen
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引用次数: 0
Crystal Structure of Bis(N-ethyl-N-phenyldithiocarbamato-κ2S,S′)-(2-ethyl-2-oxazoline-κ1N)zinc(II) 双(n -乙基- n -苯基二硫代氨基-κ 2s,S ')-(2-乙基-2-恶唑啉-κ 1n)锌(II)的晶体结构
Pub Date : 2008-01-01 DOI: 10.2116/ANALSCIX.24.X155
Robert A. Gossage, H. Jenkins
The title material was synthesised by the treatment of [Zn{S2CN(Et)(Ph)}2]2 with excess 2-ethyl-2-oxazoline. The crystal system is triclinic (space group P1 and Z = 2). The unit-cell dimensions are a = 10.2310(4)A, b = 11.4701(5)A, c = 12.1981(5)A with α = 85.952(1)°, β = 75.174(1)°, γ = 72.442(1)° and V = 1319.30(9)A3. The final R value is 0.0248 (4641 observed reflections: I > 2σ(I)). The Zn atom coordinates with two chelating dithiocarbamato groups and one N-bound oxazoline.
用过量的2-乙基-2-恶唑啉处理[Zn{S2CN(Et)(Ph)}2]2,合成了标题材料。晶系为三斜晶系(空间群P1, Z = 2),晶胞尺寸为a = 10.2310(4) a, b = 11.4701(5) a, c = 12.1981(5) a, α = 85.952(1)°,β = 75.174(1)°,γ = 72.442(1)°,V = 1319.30(9)A3。最终R值为0.0248(4641次观测反射:I > 2σ(I))。锌原子与两个螯合二硫代氨基和一个n键恶唑啉配位。
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引用次数: 3
期刊
Analytical Sciences: X-ray Structure Analysis Online
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