A Polymeric Iodiplumbate（Ⅱ） Directed by Heterocyclic Monoprotonated Quaternary Ammonium

A new iodiplumbate polymer [（AOD）（Pb216）]n 1 （AOD = O-protonated 4-azonia-7- oxaspiro（4,5） decane quaternary ammonium） was synthesized by self-assembly reaction of AOD-I, Pb（NO3）2 and NaI, and structurally determined. Compound 1 crystallizes in the hexagonal system, space group P3, with a = 18.2704（8）, c = 8.1663（6） A, V= 2360.8（2） A3, Z = 3, De = 2.783 g/cm^3, F（000） = 1686, C8H17I6NOPb2, Mr = 1319.03, μ（MoKa） = 16.562 mm^-1, the final R = 0.0535 and wR = 0.1793 for 4943 observed reflections with I 〉 2σ（I）. In compound 1, three independent （PbEI6）^2-n infinite chains in each unit cell shape the sketch of compound 1 under the template of AOD-H^2＋ cation. Each （PbaI6）^2-n chain generates from the face-sharing of distorted PbI6 octahedra. （PbEI6）^2-n polyanions interact with AOD-H^2＋ cations by electrostatic interaction in the crystal to feature a so-called hybrid structure. Compound 1 was further characterized with IR, elemental analysis, fluorescence spectrum and thermal analysis. Based on the crystal structure data, DFT calculation was carried out to reveal the electronic structure of compound 1.     

新颖有机/无机杂化配位聚合物[(DBU-H)(PbI3)]n的合成、晶体结构和量子化学研究

The coordination polymer [（DBU-H）（PbI3）]n（DBU=catena-（1,8-diazabicyclo[5,4,0]-undec-7-ene） was synthesized by self-assembly reaction of DBU and PbI2 at room temperature with pH=6.0 and structurally characterized by means of X-ray single crystal diffraction. It crystallizes in monoclinic system with space group P21/c and crystal parameters a = 1.1940（2） nm, b = 1.7409（4） nm, c = 0.81347（16） nm, β= 100.32（3）°, chemical formula C9H17N213Pb and Mr=741.15, V= 1.6635（6） nm^3, Z=4, Dc=2.959 g/cm^3, F（000）= 1304,μ（Mo Kα）= 15.687 mm^-1, the final R=0.0389 and wR=0.0635 for 2279 observed reflections with 1〉2σ（I）. Structure analysis shows that the inorganic anion chain consists of distorted PbI6 octahedra, which shares the same faces with adjacent PbI6 units to form one-dimensional infinite chains along the c-axis. Anion chains are surrounded by protonated （DBU-H）^＋ cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemical calculation with DFT at B3LYP level was used to reveal the electronic structure of title compound.     

A 3-D Hybrid Framework {[（dafone）PbI2]（dafone）2}n Constructed from Weak Interactions by Introducing Aromatic H-bond Acceptors： Synthesis and Theoretical Study

A new 3-D hybrid framework {[（dafone）PbI2]（dafone）2}n 1 （dafone = 4,5-diazafluoren-9-one） has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109（8）, b = 16.596（8）, c = 7.983（3）A, β = 91.590（15）°, V = 3193（2）A^3, Z = 4, C33H18I2N6O3Pb, Mr = 1007.53, Dc = 2.096 g/cm^3, F（000） = 1880, μ（MoKα） = 7.262 mm^-1, the final R = 0.0352 and wR = 0.0951 for 3198 observed reflections with I 〉 2σ（I）. In the [（dafone）PbI2]n chain, the Pb center adopts a distorted octahedral coordination geometry and shares an edge to give a one-dimensional polymer. The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and π-π stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.     

Synthesis,Crystal Structure and Luminescent Property of a 2-D Hybrid Constructed from [Pb_2I_4] Subunits

A novel organic-inorganic hybrid compound, [Pb2I4（bipy）], （bipy = 4,4′-bipyridine）, was synthesized by self-assembly and its structure was determined by X-ray crystallography method The crystal belongs to the monoclinic system, space group P2 1/c with α = 4.4691（9）, b = 15.385（3）, c = 14.136（3） A, β = 93.75（3）°, V= 969.9（3） A^3, Mr = 1078.16, Dc= 3.692 g/cm^3, F（000） = 916, μ = 23.688 mm^-1, Z = 2, the final R = 0.0395 and wR = 0.0887 for 1557 observed reflections with I 〉 2σ（I）. The title compound presents a two-dimensional layer-like structure constructed from [PbI5N] octahedron and bis-bridging ligand 4,4′-bipyridine. The fluorescence of the title compound is also discussed in this communication.     

A Polymeric Iodiplumbate（Ⅱ） Templated by Conjugated Quaternary Ammonium： Synthesis, Band Structure and Optical Properties

A new lead（Ⅱ） iodide coordination polymer [（npq）（PbI3）]n1 （npq = N-propyl- quinolinium） has been synthesized in the presence of npq as structure-directing reagent （SDA）. Compound 1 crystallizes in the orthorhombic system, space group Pbca, with a = 19.158（4）, b = 7.9909（16）, c = 22.929（5） A, V = 3510.2（12） A3, Z = 8, Dc = 2.877 g/cm3, F（000） = 2672, C12H1413NPb, Mr= 760.14, μ（MoKα） = 14.872 mm-1, the final R = 0.0431 and wR = 0.1021 for 3678 observed reflections with Ⅰ 〉 2σ（Ⅰ）. Structure determination indicates that the [PbI3]^-n infinite chains in each unit cell shape the sketch of 1, which could be described as the result of face-sharing distorted PbI6 octahedra running along the b axis. Electrostatic interaction between conjugated organic counter-cations and inorganic moieties presents and contributes to the crystal packing. 1 was further characterized with IR and elemental analysis. Based on the crystal structure data, quantum chemical calculation with DFT method was used to reveal the electronic structure and optical property of 1.     

Syntheses,Structures and Properties of a Series of Polymeric Oxohaloplumbates

A series of polymeric oxyhaloplumbates [Pb3 I2(μ4-O)L]n(1, H_2L = ethylene glycol) and [Pb8 M(μ3-O)2 X8(XH)L3]n {X = Br, M = Mn(2 a), Co(2 b); X = I, M = Mn(2 c), Co(2 d)} have been synthesized under solvothermal conditions and structurally characterized. 1 consists of an infinite [Pb3 I2(μ4-O)L]n ribbon built up through the linkage of [PbI2] units and [Pb2(μ4-O)L]n chains to give a new type of 1-D oxoiodoplumbate [Pb3 I2(μ4-O)L]n decorated by deprotonated ethylene glycols. 2 a～d are isostructural and exhibit 3-D heterometallic frameworks constructed by the combination of infinite [Pb2 X9] chains and heptanuclear heterometallic [Pb6 M(μ3-O)2 L3] clusters. The present oxohaloplumbates exhibit wide-band-gap semiconducting properties with absorption band edges in the range of 2.21～2.71 eV. The magnetic properties of 2 a～d have also been studied.     

Square Planar Nickel（II） Complexes with Halogenated o-Diiminobenzosemiquinonato Ligation： Synthesis,Characterization, and Redox Property

Seven square planar bis（o-diiminobenzosemiquinonato）nickel（II） complexes, [Ni（o-C6H4（NH）（NAr））2] （Ar= Mes, 1; p-F-C6H4, 2; p-CI-C6H4, 3）, [Ni（o-4,5-F2-C6H2（NH）（NPh））2] （4）, and [Ni（o-4,5-CIz-C6H2（NH）（NAr））2] （Ar =Ph, 5; 2,6-F2-C6H3, 6; 2,6-C12-C6H3, 7）, have been synthesized and characterized by 1H NMR, 13C NMR, 19F NMR, IR, UV-Vis-NIR, elemental analyses, HRMS, as well as single-crystal X-ray diffraction studies （1 and 7）. The cyclic voltammograms of these complexes exhibit two reversible redox processes of [NiLe]0n- and [NIL2]l /2 , and one irreversible process of [NiL2]~n＋. Substituent effects on the redox properties of these complexes, in addi- tion with those of the known complexes [Ni（o-C6Ha（NH）（NPh））2] （8） and [Ni（o-3,5-Butz-C6Hz（NH）2）2] （9）, are identified by comparing the half-wave potentials of the reduction waves, as 1 ~ 9 〈 8 ~ 2 〈 3 〈 4 〈 5 〈 7 〈 6, reflect- ing the ease of reduction of [NIL2] parallels the electron-donating and -withdrawing ability of the substituent group. Reduction of 1 with one or two equivalents of sodium metal in THF has led to the isolation of [Na（THF）3][I] and [Na（THF）3]2[1]. The structure data of these two complexes revealed by low-temperature X-ray crystallography suggest their corresponding electronic structures of [Nill（lL-1 ）（IL2-）]1- and [Ni1]（1L2 ）212-, which are in line with those of [9]n （n = 1-, 2-） suggested by spectroelectrochemical study.     

A New Terbium（III） Coordination Compound with 2-Thiophenecarboxylic Ligand： Synthesis and Crystal Structure①

A new coordination compound with formula [Tb（2-TC）3（DMF）]n （1, 2-TC = 2-thio- phenecarboxylic ligand and DMF = dimethylformamide） was synthesized by solvothermal method. The structure of compound 1 was determined by single-crystal X-ray diffraction analyses, and characterized by elemental analyses, IR and powder X-ray diffraction. Structure analysis reveals compound 1, exhibiting a one-dimensional chain structure, crystallizes in triclinic space group P21/c, with a = 9.2751（19）, b = 16.490（3）, c = 15.865（5） A, β = 118.98（2）°, V= 2122.7（9）A3, D,. = 1.916 g/cm3, Mr= 612.45 （C18H15NO7S3Tb）, F（000） = 1196,μ（MoKa） = 3.67 mm-1, Z = 4, R = 0.0616 and wR = 0.0962 for 3865 observed reflections （I 〉 2o（I））, and R = 0.1092 for all data. Meanwhile, the photoluminescent properties of compound 1 were also investigated in the solid state at room temperature.     

Synthesis and Structure of a POMs-based 3D Zeolike Ionic Crystal, {[Co（dpdo）2（H2O）2（CH3CN）]2（SiMo12O40）（H2O）2}n

A POMs-based 3D zeolike ionic crystal 1, {[Co（dpdo）2（CH3CN）（H2O）2]2（SiMo12O40）- （HEO）2}n （dpdo = 4,4＇-bipyridine-N,N＇-dioxide）, was constructed via self-assembly by embedding Keggintype [SiMo12O40]^4- polyanions within the intercrystalline voids as pillars and structurally characterized. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 11.430（3）, b = 12.242（3）, c = 14.279（3）A, α = 106.196（4）,β = 94.316（4）, γ = 98.294（3）°, V = 1884.5（7）A^3 Z = 1, C44H50N10O54CoEMo12Si, Mr = 2880.17, Dc = 2.538 g/cm^3, p = 2.484 mm^-1,F（000） = 1388, the final R = 0.0383 and wR = 0.1096 for 7753 observed reflections with I 〉 2σ（I）. Flack factor is 0.22（3）. Compound 1 is a pillar-layered framework with the [SiMo12O40]^4- anions linearly located on the square voids between the 2D bilayers which are formed by the dpdo ligands and cobalt（II） ions.     

Synthesis,Crystal Structure,Vibrational Spectroscopy and Thermal Behavior of the First Alkali Metal Hydrated Hexaborate： K2[B6O9（OH）2]

New hydrated potassium hexaborate K2[B6O9（OH）2] has been synthesized under mild solvothermal conditions. The structure was determined by single-crystal X-ray diffraction and further characterized by FT-IR, Rarnan spectra and DTA-TG. It crystallizes in the monoclinic system with space group P21/n, a=0.9036（2） nm, b=0.66052（18） nm, c=1.5997（4） nm, β=91.862（4）°, V=0.9543（4） nm^3 and Z=4. Its crystal structure consists of K-O polyhedra and 1-D stepped polyborate chains constructed by new [B6O9（OH）2]2- fundamental building blocks. 1-D polyborate chains contain 3,8-membered boron rings. Adjacent chains are further linked via H-bonding interactions into 2-D layers. The K^＋ cations reside not only between the layers but also in the 8-membered boron rings of the chains, compensating the negative charges of the borate chains and holding the layers together into the 3-D structure through bonding with oxygen atoms of the chains.     

Syntheses and Structures of Two New Cobalt Supramolecular Complexes, [Co（4,4＇-bipy）2（H2O）4]·[Co2（4,4＇-bipy）3（H2O）8]·2TST·2（4,4＇-bipy）·4H2O and [Co（4,4＇-bipy）2（H2O）4]DSNT·4,4＇-bipy

Two new cobalt（II） supramolecular complexes [Co（4,4＇-bipy）2（H2O）4]·[Co2（4,4＇-bipy）3（H2O）8]·2TST·2（4,4＇-bipy）·4H2O 1 and [Co（4,4＇-bipy）2（H2O）4]DSNT·4,4＇-bipy 2 based upon the assembly of Co（II）, 4,4＇-bipyridine （4,4＇-bipy） and two new multifunctional organic ligands, 2,4,6-tris（4-sulfophenyl- amino）-1,3,5-triazine （H3TST） and 2,4-bis（p-sulfanilato）-6-diethylamino-1,3,5-triazine （H2DSNT）, have been prepared by hydrothermal method and characterized by elemental analysis, IR spectrum, and single-crystal X-ray diffraction. The crystal structure of 1 is of monoclinic, space group P21/n with a = 13.599（4）, b = 18.988（6）, c = 22.995（7） A, β = 90.273（6）°, V = 5938（3）A^3, Z = 4, C56H59Co1.5N13O17S3, Mr = 1370.74, Dc = 1.533 g/cm^3, μ = 0.613 mm^-1, F（000） = 2842, GOOF = 1.018, the final R = 0.0796 and wR = 0.1498 for 9019 observed reflections with I 〉 2σ（I）. The crystal structure of 2 belongs to the monoclinic system, space group C2/c with a = 18.864（6）, b = 14.283（5）, c = 20.246（7）A, β = 107.799（6）°, V = 5194（3）A^3, Z = 4, C49H52CoN12O10S2, Mr = 1092.08, Dc = 1.397 g/cm^3, μ = 0.480 mm^-1, F（000） = 2276, GOOF = 1.059, the final R = 0.0665 and wR = 0.1900 for 4887 observed reflections with I 〉 2σ（I）. The results of X-ray crystal structure analysis revealed that complexes 1 and 2 exhibit layered supramolecular frameworks stabilized by electrostatic interactions, π-π interactions and hydrogen bonds.     

Synthesis and Crystal Structure of a Novel Hexanuclear Copper-indium Thiolate Complex [（InCl）2（OMe）（μ-OMe）2（μ3-OMe）（μ-SPrn）2（CuPPh3）]2

A novel hexanuclear copper-indium thiolate complex, [（InCl）2（OMe）（μ-OMe）2（μ- OMe）（μ-SPrn）2（CuPPh3）]2 1, was synthesized from the reaction of NaSPrn, InCl3 and [Cu（Me- CN）a][PF6] in the presence of Ph3P and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P211n with a = 11.3533（8）, b = 15.4939（11）, c = 20.5189（14） A, β = 98.577（2）°, V = 3569.0（4） A3, Z = 2, C56H82Cl4Cu2In4O8P2S4, Mr = 1801.56, Dc = 1.676 g/cm3,μ（MoKa） = 2.213 mm^-1, F（000） = 1796, S = 0.985, the final R = 0.0559 and wR = 0.1099 for 8878 observed reflections with I 〉 2σ（I） and 367 variables. Complex 1 consists of two CuPPh3 fragments which symmetrically side-attach to the tetranuclear core of [InaCl4（OMe）2（μ-OMe）a（μ- OMe）2（μ-SPrn）4] by coordinating with sulfur atoms of propane-thio moieties. The average In-Ot （terminal）, In-μ-O and In-μ3-O bond distances are 2.305（4）, 2.144（4） and 2.294（4） A, respectively.     

A New Bismuth（llI） Iodide Inorganic/organic Hybrid Solid Containing Large Heterocyclic Conjugated Organic Ligand： Synthesis,Properties and Calculations

A new bismuth（III） iodide inorganic/organic hybrid containing larger heterocyclic conjugated organic ligand, [（dppz）2Bi2I6]·2DMF （1） （dppz = dipyrido[3,2-a：2＇,3＇-c]phenazine）, has been synthesized by solution process and structurally determined by X-ray diffraction method. 1 crystallizes in triclinic, space group Pī with Mr= 1844.08, α = 9.215（5）, b = 11.488（6）, c = 12.424（9） ？, α = 106.66（2）, β = 90.84（2）, γ = 92.34（2）°, V = 1258.5（13） ？3, Z = 1, Dc = 2.433 g/cm3, F（000） = 830, μ（MoKα） = 10.702 mm–1, the final R = 0.0834 and wR = 0.1947 for 2749 observed reflections with I 〉 2σ（I）. 1 consists of a dimeric structure [（dppz）2Bi2I6], in which two [（dppz）BiI3] fragments are bridged by a pair of iodine atoms. Hydrogen bonds and π···π stacking interactions contribute to the structural extension and stabilization. Experimental band gap of about 2.13 eV indicates its semiconductor nature. The optical absorption spectrum and electronic structure were also discussed.     

Construction of One New 3D Zinc-organic Framework Based on D-（＋）-camphoric Acid and Bis（4-pyridylmethyl）piperazine

A new polymer [Zn2（cam）2（bpmp）]n 1 （H2cam = D-（＋）-camphoric acid, bpmp = bis（4-pyridylmethyl）piperazine） was synthesized under hydrothermal conditions. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.305（9）, b = 12.945（9）, c = 13.619（10） A, β = 116.833（8）°, V= 1936（2）A3, Z = 4, Mr = 397.76, Dc= 1.365 Mg/m3,μ = 1.292 mm-1, F（000） = 832, the final R = 0.0578 and wR = 0.1678 for 2838 observed reflections with I 〉 2σ（I）. The compound presents a three-dimensional （3D） network extended by homochiral 2D layer and bpmp ligands. From the topology point of view, the structure could be described as a 3D 6-connected mab net with （44.610.8） topology. In addition, infrared spectroscopy, elemental analyses, thermogravimetric analysis and powder X-ray diffraction properties of 1 are also investigated.     

Structure and Semiconducting Character of a Polymeric Iodoplumbate Coordination Complex

A new polymeric iodoplumbate complex [Zn(DMF)6][Pb2I6] 1 has been prepared and characterized by elemental analysis and single-crystal X-ray analysis. Its structure contains infinite iodoplumbate chains constructed by the [PbI5] subunit. EHT crystal orbital calculation and the experimental results show that this material is an unconventional semiconductor and the electrical character is associated with its structural feature.     

Hydrothermal Synthesis,Crystal Structure and Fluorescence Spectrum Studies of a Supramolecular Compound {[2-（2-Pyridyl）benzimidazoleH2]2＋ ·[SbCls]2-}2

A new supramolecular compound, { [2-（2-pyridyl）benzimidazoleH2]2＋.[SBC15]2-}2, was synthesized by the hydrothermal reaction of o-diaminobenzene, 2-pyridinecarboxylie acid and SbCl3 in 1：1 HC1 solution, and characterized by chemical analysis, elemental analysis, IR spectra, thermogravimetfic analysis and fluorescence spectra. The crystal structure was deter- mined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P211c, with a = 16.0397（13）, b = 14.3189（12）, c = 15.6370（13） A, β = 105.8980（10）°, V = 3454.0（5） A3, Z = 4, C24H22Cl10N6Sb2, Mr = 992.48, Dc = 1.909 g/cm3,/z = 2.366 mm-1, S = 1.010, F（000） = 1920, R = 0.0254 and wR = 0.0555. The coordination anion, [SbCl5]2- which is a distorted tetragonal pyramid, is composed by coordinating action with Sb3＋ ion and five adjacent chloride ions. Every four coordination anions of [SbCl5]2- form a biquaternion ring structure through the secondary bonding of Sb...Cl. Moreover, the compound adopts a three-dimensional network supramolecular structure because of the hydrogen bonds and π-π stacking between the rings and the 2-（2-pyridyl）benzimidazole divalent cations. The title compound also shows good fluorescent behaviors.     

Synthesis,Crystal Structure and Antitumor Activity in Vitro of a New Benzoate Binuclear Cupper（ Ⅱ） Complex

The title compound, [Cu2（C7H5O2）4（C2H6O）2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol in an aqueous solution. Trypan blue dye exclusion method was used in experiment. X-ray single-crystal analysis has revealed that compound 1 （C32H32Cu2O10） crystallizes in the monoclinic system, space group C2/c, Mr = 703.66, a = 47.340（5）, b = 6.6613（4）, c = 22.028（2）A,β = 113.284（4）°, V = 6380.6（10） A^3, Z = 8, Dc= 1.465 g/cm^3, F（000） = 2896,μ = 1.388 mm^-11, the final R = 0.0515 and wR = 0.1172 for 5712 observed reflections with I 〉 2σ（I）. X-ray crystal structure analysis suggests that compound [CH2（C7H5O2）4（C2H6O）2] has a binuclear structure with two Cu（II） atoms coordinated by four benzoate groups and two ethanol molecules. The crystal packing is stabilized by intermolecular O-H...O hydrogen bonds. The compound inhibits the proliferation of K562 cells （chronic myeloid leukemic cells） significantly and dose-dependently in 48 h, and IC50 of K562 is 17.3μg/mL by trypan blue dye exclusion method.     

A Three-dimensional Neodymium（Ⅲ）- potassium（Ⅰ） Coordination Polymer

The title compound [NdK（btec）（H2O）2]n 1 was synthesized via the hydrothermal reaction of Zn（OAc）E·H2O, Nd（NO3）3 and KOH with 1,2,4,5-benzenetetra-carboxylic acid （H4btec）, and characterized by elemental analysis and infrared spectra. The crystal of 1 crystallizes in monoclinic, space group P21/c with a = 8.9023（3）, b = 7.8954（1）, c = 17.6249（5）A,β= 91.857（1）°, V= 1238.16（6）A^3, Z = 4, C10H6KNdO10, Mr= 469.49, Dc = 2.519 g/cm^3, F（000） = 900 andμ（MoKa） = 4.585 mm^-1. The final R = 0.0404 and wR = 0.0832 for 2197 observed reflections with I 〉 2σ（I） and R = 0.0431 and wR = 0.0854 for all data. X-ray diffraction reveals that the btec ligand serves as a μ16-bridging ligand to link the Nd（Ⅲ） and K（Ⅰ） atoms into a three-dimensional coordination polymer. Photoluminescent investigation shows that the title compound displays strong emission in the blue region, which may be attributed to an intraligand emission state.     

Synthesis and Crystal Structure of [VO2（C17H11N3O2） ] [VO （C4H13N3）（C6H5N3O） ]（C2H5OH）

The reaction of VO（acac）2 with 2-hydroxyl-1-naphthaldehyde isonicotinyl hydrazone and amines （ethylenediamine or diethylenetriamine） in CH3OH yields crystals of novel vanadium compounds characterized by IR, NMR spectroscopic methods and X-ray single-crystal structure determination. Two different vanadium units exist in the crystal cell of [VO2（C17H11N3O2）][VO- （C4H13N3）（C6H5N3O）]（C2H5OH） which crystallizes in the triclinic system, space group P1 with a = 8.0104（17）, b = 13.898（3）, c = 14.955（3）A, α = 89.103（4）, β = 79.551（4）, γ = 78.352（4）°, V = 1603.3（6）A^3, Mr = 723.54, Dc = 1.499 g/cm^3, Z = 2, λ（MoKα） = 0.71073 ]A,μ= 0.644 mm^-1, F（000） = 748, the final R = 0.0547 and wR = 0.0997 for 8920 observed reflections with I 〉 2σ（I）. According to structure analysis, two different molecules are arranged in the lattice and the two vanadium atoms adopt octahedral and square pyramidal coordination geometries, respectively. The interactions between DNA and vanadium complexes have been investigated by UV-Vis absorption spectro- photometry.     

Synthesis and Crystal Structure of Ethyl 2-（6-（1,3-Dioxo-4,5,6,7-tetrahydro-lH- isoindol-2（3H）-yl）-7-fluoro-3-oxo-2H- benzo[b][1,4]oxazin-4（3H）-yl） Butanoate

The title compound ethyl 2-（6-（1,3-dioxo-4,5,6,7-tetrahydro-lH-isoindol-2（3H）- yl）-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4（3H）-yl） butanoate 3 was synthesized by the reaction of ethyl 2-（6-amino-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4（3H）-yl） butanoate with 4,5,6,7- tetraydrophthalic anhydride, and its structure was determined by X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P2 1/n with a = 9.3469（2）, b = 16.7715（5）, c = 13.7153（4） A, β= 104.9680（10）°, μ = 0.107 mm^-1, Mr = 430.42, V= 2077.08（10） ,A3, Z= 4, Dc = 1.376 g/cm3, F（000） = 904, T= 296（2） K, R = 0.0508 and wR = 0.1478.