Crystal Structure of 1,1-Dichloro-3-Dichloromethyl-1a-3-Dipenyl-1a,2,3,4-Tetrahydro-1 H-Azirino〔1,2-a〕〔1,5〕benzodiazepine(C_(23)H_(18)Cl_4N_2)

１ＩＮＴＲＯＤＵＣＴＩＯＮＩｎｒｅｃｅｎｔｙｅａｒｓ,ｉｔｈａｓｆｏｕｎｄｔｈａｔｂｅｎｚｏｔｈｉａ／ｄｉａｚｅｐｉｎｅｔｒｉｃｙｃｌｉｃｄｅｒｉｖａｔｉｖｅｓａｒｅｐｏ ｔｅｎｔｉａｌｐｈａｒｍａｃｅｕｔｉｃａｌａｇｅｎｔｓ〔１２〕．Ｔｈｕｓ,ｗｅ...     

Synthesis and Crystal Structure of 〔EDA〕〔Ni(dmit)_2〕_3

１ＩＮＴＲＯＤＵＣＴＩＯＮＴｈｅＮｉ（ｄｍｉｔ）２ｍｏｌｅｃｕｌｅｓｇｉｖｅｒｉｓｅｔｏａｎｕｍｂｅｒｏｆｍｏｌｅｃｕｌａｒｃｏｎｄｕｃｔｏｒｓ〔１，２〕ｉｎａｄｄｉｔｉｏｎｔｏｓｕｐｅｒｃｏｎｄｕｃｔｏｒｓ〔３，４〕．Ｔｈｅｍｕｌｔｙｓｕｌｆｕｒｆ...     

Crystal Structure of 1,1-Dichloro-4-formyl-3-methyl-1a-phenyl-1a,2,3,4-tetrahydro-1H-azirino〔1,2-a〕〔1,5〕benzodiazepine(C_(18)H_(16)Cl_2N_2O)

１ＩＮＴＲＯＤＵＣＴＩＯＮＢｅｎｚｏｈｅｔｅｒｏａｚｅｐｉｎｅｃｏｍｐｏｕｎｄｓａｒｅｉｍｐｏｒｔａｎｔｐｈａｒｍａｃｅｕｔｉｃａｌａｇｅｎｔｓ〔１,２〕．Ｉｎｒｅ ｃｅｎｔｙｅａｒｓ,ｉｔｈａｓｂｅｅｎｆｏｕｎｄｔｈａｔｂｅｎｚｏｈｅｔｅｒｏａｚｅ...     

Crystal Structure of Triethyl 6-benzoyl-3a-(4-fluorophenyl)-2,3,3a,4,5,6-hexahydro-5-methyl-1H-pyro〔1,2-a〕〔1,5〕benzodiazepine-1,2-3-tricarboxylate

１ＩＮＴＲＯＤＵＣＴＩＯＮＳｉｎｃｅｂｉｏｌｏｇｉｃａｌａｎｄｐｈａｍａｃｏｌｏｇｉｃａｌａｃｔｉｖｉｔｉｅｓｈａｖｅｂｅｅｎｗｅｌ ｋｎｏｗｎｆｏｒｎｕｍｅｒｏｕｓｈｅｔｅｒｏｃｙｃｌｉｃａｒｏｍａｔｉｃｔｒｉｃｙｃｌｅｓｉｎｒｅｃｅｎｔｙｅａｒｓ...     

The Molybdenum(0) Complex 〔Et_4N〕_2〔Mo_2(CO)_6(pys)_2〕(pys=Pyridine-2-thiolato)

１ＩＮＴＲＯＤＵＣＴＩＯＮＲｅｃｅｎｔｒｅｓｅａｒｃｈｏｎａｓｅｒｉｅｓｏｆｄｉｎｕｃｌｅａｒｍｏｌｙｂｄｅｎｕｍ（０）ｃａｒｂｏｎｙｌｃｏｍｐｌｅｘｅｓｃｏｎｔａｉｎ ｉｎｇｔｈｉｏｌａｔｏ ｂｒｉｄｇｅｓｈａｓｌｅｄｔｏｔｈｅｃｏｎｃｌｕｓｉｏｎ...     

Synthesis and Structure of Dinuclear Molybdenum Carbonyl Thiolate Compound 〔Et_4N〕_2〔Mo_2(CO)_8(SC_6H_4-OCH_3-p)_2〕

１　ＩＮＴＲＯＤＵＣＴＩＯＮＩｎｏｕｒｅｆｆｏｒｔｓｔｏｄｅｖｅｌｏｐｔｈｅｌｏｗ－ｖａｌｅｎｃｅＭｏ－ＳＲｃｏｍｐｏｕｎｄｓ,ｗｅｈａｖｅｆｏｕｎｄａｎＭｏ（０）－ｃｏｍｐｏｕｎｄ,〔Ｍｏ２（ＳＲ）２（ＣＯ）８〕２－,ｗｈｉｃｈｉｓｏｂｔａｉｎｅｄｆｒｏｍｔｈｅｒｅａｃｔｉｏｎｏｆＭｏ（ＣＯ）６ｗｉｔｈＲＳ－ｉｎｈｉｇｈｙｉｅｌｄ,ｐｏｓｓｅｓｓｅｓａｎｉｎｔｅｒｅｓｔｉｎｇｔｗｏ－ｅｌｅｃｔｒｏｎｔｒａｎｓｆｅｒｐｒｏｐｅｒｔｙ．Ｎｕｍｅｒｏｕｓｋｉｎｄｓｏｆｄｉｎｕｃｌｅａｒｍｏｌｙｂｄｅ…     

Synthesis and Structural Characterization of the Complex 〔Et_4N〕_2〔Ni_2(C_2S_4)(C_3S_5)_2〕

１ＩＮＴＲＯＤＵＣＴＩＯＮＴｈｅｃｈｅｍｉｓｔｒｙｏｆｃｏｍｐｏｕｎｄｓｗｉｔｈｄｍｉｔ（ｄｍｉｔ＝１,３ ｄｉｔｈｉｏｌｅ ２ ｔｈｉｏｎｅ ４,５ ｄｉｔｈｉｏｌａｔｅ）ｈａｓａｔｒａｃｔｅｄｃｏｎｓｉｄｅｒａｂｌｅａｔｅｎｔｉｏｎｒｅｃｅｎｔｌ...     

Synthesis of Bis 〔bis (tert-butylcyclopentadienyl) neodymium chloride〕 and Structural trend of Bis〔bis(tertbutylcyclopentadienyl) lanthanide chloride〕

１　ＩＮＴＲＯＤＵＣＴＩＯＮＢｉｓｃｙｃｌｏｐｅｎｔａｄｉｅｎｙｌｌａｎｔｈａｎｉｄｅｃｈｌｏｒｉｄｅｓｆｏｒａｌｌｔｈｅｌａｎｔｈａｎｉｄｅｅｌｅｍｅｎｔｓｈａｖｅｂｅｅｎｓｙｎｔｈｅｓｉｚｅｄａｎｄｓｔｒｕｃｔｕｒａｌｌｙｃｈａｒａｃｔｅｒｉｚｅｄ〔１〕．Ｔｅｒｔ－ｂｕｔｙｌｃｙｃｌｏｐｅｎｔａｄｉｅｎｙｌｉｓａｓｕｉｔａｂｌｅｌｉｇａｎｄｆｏｒｐｒｅｐａｒａｔｉｏｎｏｆｌａｎｔｈａｎｏｃｅｎｅｃｈｌｏｒｉｄｅｓ．Ｔｈｅｓｙｎｔｈｅｓｅｓａｎｄｍｏｌｅｃｕ－ｌａｒｓｔｒｕｃｔｕｒｅｓｏｆ〔（…     

Synthesis and Crystal Structure of H_2Mo_8O_(26)〔(n-Bu)_4N_2〔(CH_3)_2 COHCH_2COCH_3〕_2

1　ＩＮＴＲＯＤＵＣＴＩＯＮＰｏｌｙｍｏｌｙｂｄａｔｅａｎｉｏｎｓｈａｖｅｂｅｅｎｓｔｕｄｉｅｄｆｏｒｍａｎｙｙｅａｒｓｂｅｃａｕｓｅｏｆｔｈｅｉｒａｐｐｌｉｃａ ｔｉｏｎｉｎｃａｔａｌｙｓｉｓｃｈｅｍｉｓｔｒｙ〔1〕.Ｉｎｔｈｅｓｙｎｔｈｅｓｉｓｏｆｏｒｇａｎｉｃｐｏｌｙｍｏｌｙｂｄａｔｅｄｅｒｉｖａｔｉｖｅｓｕｓｉｎｇａｃｅｔｏｎｅａｓｓｏｌｖｅｎｔ,ｗｅｆｏｕｎｄｔｈａｔｔｈｅｃｏｎｄｅｎｓａｔｉｏｎｒｅａｃｔｉｏｎｏｆａｃｅｔｏｎｅｏｃｃｕｒｒｅｄａｎｄｔｈｅｃｏｎｄｅｎｓａｔｉｏｎｐｒｏｄ…     

Synthesis and Crystal Structure of Monochloridehepta(dimethyl sulfoxide)gadolinium(Ⅲ) di(tetraphenyl boron) Salt 〔Gd(dmso)_7Cl〕〔BPh_4〕_2

１　ＩＮＴＲＯＤＵＣＴＩＯＮＳｕｌｆｏｘｉｄｅｉｓｋｎｏｗｎｔｏｆｏｒｍｃｏｏｒｄｉｎａｔｉｏｎｃｏｍｐｏｕｎｄｓｗｉｔｈＬａｎｔｈａｎｉｄｅ（Ⅲ）ａｎｄｔｈｅｉｒｓｙｎｔｈｅｓｅｓ,ｐｒｏｐｅｒｔｉｅｓａｎｄｖａｒｉｏｕｓｐｈｙｓｉｃａｌｃｈａｒａｃｔｅｒｉｓｔｉｃｓｈａｖｅｂｅｅｎｒｅｐｏｒｔ－ｅｄ〔１～９〕．Ｈｏｗｅｖｅｒ,ｔｈｅｒｅａｒｅｓｏｍａｎｙｄｉｆｆｉｃｕｌｔｙｉｎｐｒｅｐａｒｉｎｇｔｈｅｋｉｎｄｏｆｌａｎｔｈａｎｉｄｅｃｏｍｐｌｅｘｅｓｂｅｃａｕｓｅｔｈｅａｎｉｏｎｓｕｓｅｄａ…     

Synthesis and Crystal Structure of 1-（4-Fluorophenyl）-2-hexylthiobenzo[4,5]-furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H）-one

The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854(3) ,b = 17.2678(4) ,c = 18.1828(5) ,β = 99.364(2) °,V = 4332.58(18) 3,Z = 4,Dc = 1.338,F(000) =1824,μ = 0.185 mm-1,MoKa radiation(λ = 0.71073) ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I > 2σ(I) . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5(1H) -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.     

Crystal Structure of 1, 1-Dichloro-la, 3-diphenyl-1, la, 2, 3-tetrahydro-azirino [2, 1-d ] [1, 5]benzothiazepine (C_(22),H_(17)Cl_2NS )

1INTR0DUCTI0NBenzoheteroazepinecompoundsareimportantpharmaceuticalagents"-".Inre-centyears,ithasbeenfoundthatbenzoheter0azepinetricyclicderivatives,especiallythosefusedwithotherfiveorsix-memberedheterocycle,area1soofpotentialphar-maceuticalinterestst4-6j.Hence,muchattentionhasbeenpaidtothesynthesesofthem,suchasl,3-oxazino[3,2-djt1,5jbenzothia/diazepin-l-onet"'J,1,2,4-tria-zolo[4,3-dj[1,5jbenzothia/diazepine"',1,2,4-oxadiazolo[4,5-dj[l,5jbenzothia/diazepine',',andsoon.Meanwhiletheirstructur…     

CRYSTAL AND MOLECULAR STRUCTURE OF 3a-(4-CHLORO-PHENYL)-1, 5-DIPHENYL-3a, 4,5,11-TETRAHYDRO-1, 2, 4-OXA-DIAZOLINO [5,4-d][1, 5]BENZOTHIAZEPINE, (C_(28)H_(21)N_2OClS)

<正> The structure of 3a-(4-chlorophenyl)-1, 5-diphenyl-3a, 4,5,11-te-trahydrq-1, 2, 4-oxadiazolino [5, 4-d][1, 5] benzothiazepine (C28H21N2OClS) has been determined. The compound crystallizes in triclinic space group P1 with two formula units in a cell of dimensions: a =11. 114(2), b = 11. 673(1), c=10. 435(1) (?), α=98. 42(1), β=118. 69(1),γ = 98. 64(1)° and V = 1136. 2(3)(?)3. The structure was solved by using direct methods and refined by full matrix least-squares. The final crystallographic discrepancy factor is 0. 058 for 2384 observed reflections. The molecular backbone is a tricyclic system : The seven-membered hetero ring in the center is in twisted-boat conformation, and is cis-fused to 1, 2, 4-oxadiazolino ring which is in an envelope form, together with the equilaterally adjoined benzene ring . The compound has a non-planar conjugation system.     

Synthesis and Crystal Structure of Trans-4-[(5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one

The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl-1-phenyl-1H-pyra-zol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1 with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6) , α = 112.566(1), β = 92.324(2), γ = 102.91(1)o, V = 1315.65(10) 3, Z = 2, Dc = 1.344 g/cm3, μ(MoKα) = 0.282 mm-1, λ = 0.71073 , F(000) = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections (I > 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra-and intermolecular C(12)-H(12)···O(1) and C(28)-H(28)···O(1)#1 hydrogen bonds were observed in the title compound.     

2,6-二甲基-3-苯基-4a-对甲苯基-7-苯甲酰基-4a,5,6,12-四氢-1H,7H-1,3-噁嗪并[3,2-d][1,5]-苯并二氮杂-1-酮的合成及晶体结构

通过2-甲基-4-对甲苯基-1-苯甲酰基-2，3-二氢-1H－1，5-苯并二氮杂与由不对称1-苯基-2-偶氮-1，3-丁二酮热解产生的a-羰基烯酮的[2＋4]环加成反应制备了标题化合物（C34H30N2O3，Mr=514．62），用X射线衍射测定了其单晶结构。晶体属单斜晶系，空间群为P21／n，a=11．560（1），b=19．058（3），c=13．207（2）A，β=106.82（1）°，V=2785.2（7）A3，Z=4，Dc=1．230g．cm-3，MoKa（λ=0.71073A），μ=0．064mm-1，F（000）=1088，2278个可观测衍子射点，R=0．046，Rw=0．049。分子骨架为由苯环、具有类扭船式构象的七元二氮杂环和略微扭曲的唑酮环构成的三环体系。     

Synthesis, Structure and Biological Activities of 2-Methylthio-3-cyano-7-（4-methoxyphenyl）- pyrazolo[1,5-a]pyrimidine

1INTRODUCTION Pyrazolo[1,5-a]pyrimidine derivatives have shown various biological activities in the terms of antibac-terial,antischistosomal and xanthine oxidase inhibi-tors[1~5].The enaminones are highly reactive inter-mediates and have been extensively used as build-ing blocks in organic synthesis especially in the he-terocyclic compounds[6~8].In addition,a great deal of interest has been focused on the synthesis of py-razolo[1,5-a]pyrimidine through versatile enamino-nes because of thei…     

2,2’-(4-氯苯基)亚甲基双(3-羟基-5,5-二甲基-2-环己烯-1酮)的晶体结构

标题化合物C23H27O4Cl是由邻氯苯甲醛与5，5-二甲基-1，3-环己二酮在N，N-二甲基甲酰胺中反应而得。结构通过单晶X-射线衍射法测定，其晶体属于单斜晶系，空间群晶体结构用直接法解出，使用全矩阵最小二乘法对原子参数进行修正，最后的偏离因子为在晶体结构中，存在两个共轭的烯醇式结构。四个C－O健长分别为1．283（2），1．285（2），1．287（3）和1．298（2）