Crystal and Molecular Structure of <Emphasis Type="Italic">trans</Emphasis>-1,2-bis(2-benzothiazolyl)ethene

Abstract The crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene is reported. Crystal data for 1: monoclinic, space group C 2/c, a = 24.926(3) ?, b = 4.843(1) ?, c = 11.164(1) ?, β = 105.274(5) °, V = 1300.0(3) ?³, and D _c = 1.50 g/cm³ for Z = 4 and R = 0.028. The molecule crystallizes in the form of a colorless plate and forms one-dimensional slipped π-stacks. Graphical Abstract The title compound crystallizes to form 1D slipped π-stacks in the solid state. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal and Molecular Structures of Benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine and Benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine: Confirmation of Computationally Predicted Restricted Rotation

Abstract Crystal structures for the isomeric compounds benzyl-(2-chloro-6-methylpyrimidin-4-yl)amine (1), as its hemi-hydrate, and benzyl-(4-chloro-6-methylpyrimidin-2-yl)amine (2) have been determined. Conformational differences lead to multiple molecules, i.e. two and three, in their respective structures. Layers feature in each of the crystal structures and are stabilized by substantial hydrogen-bonding interactions. Compound (1) crystallizes as a hemi-hydrate in the triclinic space group P-1 with a = 8.667(5) ?, b = 11.421(7) ?, c = 12.954(8) ?, α = 78.330(10)°, β = 84.553(10)°, γ = 75.510(9)°, and Z = 4. Compound (2) crystallizes in the monoclinic space group P2₁/c with a = 10.740(3) ?, b = 21.487(6) ?, c = 14.914(4) ?, β = 95.014(5)°, and Z = 12. Index Abstract Substantial hydrogen-bonding interactions leading to layer structures feature in each of the crystal structures of the isomeric title compounds. Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users.     

Structural Report for Sc[(R,R)-norephedrine-pybox](OTf)3 Dimeric Complex

Abstract The title compound containing two metal centers each complexes to one enantiopure chiral norephedrine-derived pyridyl-(bis) oxazoline (pybox) ligand and linked by two hydroxide bridges, crystallizes to give rodlike form in the space group P2₁(# 4). Cell Parameters are a = 10.2344(18) ?, b = 13.952(3) ?, c = 23.371(4) ?, β = 94.586(4)°, V = 3326.6(10) ?³. The metal-hydroxide motif forms a square plane at the center of the structure with the scandium centers exhibiting a distorted pentagonal bipyramid coordination sphere consisting of the chelating ligand and two additional triflouromethyl sulfonyloxy species positioned anti to each other. Graphical abstract The complex contains two metal centers each complexes to one enantiopure chiral norephedrine-derived pyridyl-(bis) oxazoline (pybox) ligand and linked by two hydroxide bridges. Structural report for Sc[(R,R)-norephedrine-pybox](OTf)₃ dimeric complex Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Dimer Formation in 4-Benzyl-5-Methoxymethyl-3-Methyl-1<Emphasis Type="Italic">H</Emphasis>-Pyrrole-2-Carboxylic Acid Benzyl Ester

Abstract A new substituted pyrrole, a precursor of meso-free-porphyrins, has been synthesised and characterised by single-crystal X-ray diffraction: monoclinic, P2₁/c with a = 14.607(9) ?, b = 5.136(2) ?, c = 25.832(17) ?, β = 108.14(5)°, Mr = 349.41, V = 1841.6(18) ?³, Z = 4. The molecules are assembled in centrosymmetric dimers via strong N–H...O hydrogen bonds. The dimers are gathered into chains via C–H...π intermolecular interactions. Graphical abstract The molecules in 4-benzyl-5-methoxymethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester are joined in dimmers by strong hydrogen bonds. The dimmers are aggregated in chains running along the b axis through C-H...?€ intermoleculear interactions. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis,Spectroscopy, In Vitro Biological Activity and X-ray Structure of (4-Methylpiperidine-dithiocarbamato-<Emphasis Type="Italic">S</Emphasis>,<Emphasis Type="Italic">S</Emphasis>′)triphenyltin(IV)

Abstract (4-Methylpiperidine-dithiocarbamato-S,S′)triphenyltin(IV) derivative of 4-methyl-1-piperidine carbodithioic acid (4-MePCDTA) have been synthesized and characterized by elemental, IR, multinuclear NMR (¹H and ¹³C) and mass spectrometric studies. The crystal structure of the complex has been determined by X-ray single crystal analysis, which shows unsymmetrical nature of the ligand towards coordination to tin. It crystallizes in monoclinic P21/c space group with the crystal cell parameters: a = 10.1863(10) ?, b = 21.200(2) ?, c = 11.7332(11) ?, β = 111.2020(10)°, Z = 4 and V = 2,362.2(4) ?³. The tin atom is coordinated to the two sulfur atoms of the dithiocarbamate ligand and three carbon atoms of the phenyl groups are in distorted trigonal bipyramid geometry. This complex was tested for its antimicrobial activity against six different plant and human pathogens. The screening results show that the complex exhibit higher antibacterial and antifungal activity than the free ligand. Index abstract Synthesis, Spectroscopy, in vitro Biological Activity and X-Ray Structure of (4-Methylpiperidine-dithiocarbamato-S,S′)triphenyltin(IV) Saira Shahzadi, Saqib Ali and Mohammmed Fettouhi 4-Methyl-1-piperidine carbodithioic acid behaves as anisobidentate ligand and chelates the tin atom by means of sulfur atoms giving cis-trigonal bipyramid geometry around the tin atom. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis and Structure of 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane

Abstract The title compound, 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane was synthesized by ferrocene- carboxaldehyde with 2-hydrazono-1,3-dithiolane and characterized by elemental analysis, ¹H NMR, IR, UV-Vis and single crystal XRD. The crystal belongs to orthorhombic, space group Fdd2 with unit cell parameters a = 27.487(4) ?, b = 35.239(6) ?, c = 6.0517(9) ?, V = 5861.7(16) ?³, Z = 16, Dc = 1.497, Mr = 330.24, μ = 1.300 mm⁻¹, F(000) = 2720, R ₁ = 0.0413, and wR ₂ = 0.0753. The molecule is the anti-rotamer of the trans-isomer and every molecule joins each other to a zig-zag chain through the intermolecular unclassical hydrogen-bonds of C(7)–H(7)···N(1) (3.449(8) ?, 172°). Further every chain self-assembles into a three-dimensional networking structure via another intermolecular unclassical hydrogen-bonds of C(1)–H(1A)···π/Cg (3.597(7) ?, 143°) and the weak inter molecular interaction forces of C(4)–H(4)···S(1) (3.742(7) ?, 139°) and C(14)–H(14)···H(6) (3.080(7) ?, 134°). Graphical Abstract Synthesis and Structure of 2-Ferrocenylmethylidenehydrazono-1,3-dithiolane Yonghong Liu, Xiangqian Dai, Xiaolan Liu, Wei Xu, and Rong Guo College of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, P.R. China The title compound was synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, IR, UV-Vis and single crystal XRD.      

Synthesis of <Emphasis Type="Italic">E</Emphasis> Isomer and Crystal Structures of <Emphasis Type="Italic">E</Emphasis> and <Emphasis Type="Italic">Z</Emphasis> Isomers of 3-(2,5-Dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile

Abstract Details of the synthesis of the E isomer of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile, and the X-ray crystal structures of both the E and Z isomers of this compound are presented. The E isomer crystallizes in the P2₁/c space group with cell parameters, a = 8.5659(17) ?, b = 16.399(3) ?, c = 11.224(2) ?, α = 90°, β = 95.27(3)°, γ = 90°and Z = 4. The Z isomer crystallizes in the Pca2₁ space group with cell parameters, a = 4.1223(8) ?, b = 19.113(4) ?, c = 19.453(4) ?, α = 90°, β = 90°, γ = 90° and Z = 4. Index Abstract Synthesis of E isomer and X-ray crystal structure determination of both E and Z isomers of 3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylonitrile are presented.      

Synthesis and Structural Conformation Studies of a Potent Unsymmetrical 1,4-Dihydropyridine

Abstract 2,6-Dimethyl-5-(phenylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylate was synthesized in two steps and was characterized spectroscopically and confirmed by X-ray diffraction studies. The molecule crystallizes in the monoclinic crystal class in the spacegroup P2₁/c with cell parameters a = 10.5960(6) ?, b = 10.2450(7) ?, c = 19.5790(11) ?, β = 107.448(3)° and Z = 4. The 1,4-dihydropyridine ring in the structure adopts a flattened boat conformation. Graphical Abstract 2,6-Dimethyl-5-(phenylcarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylate was synthesized in two steps and was characterized spectroscopically and confirmed by X-ray diffraction studies. The molecule crystallizes in the monoclinic crystal class in the spacegroup P2₁/c with cell parameters a = 10.5960(6) ?, b = 10.2450(7) ?, c = 19.5790(11) ?, β = 107.448(3)° and Z = 4. The 1,4-dihydropyridine ring in the structure adopts a flattened boat conformation.      

Propeller-like Conformation of Diphenylacetic Acid

Abstract Crystal structure of diphenylacetic acid has been solved by X-ray diffraction. The crystals are monoclinic, space group P2₁/c, with a = 12.254(4) ?, b = 7.2260(8) ?, c = 17.521(4) ?, β = 133.38(1)°, Mr = 212.24, V = 1127.6(5) ?³, Z = 4 and R = 0.045. A strong hydrogen bond links the molecules in dimers. The dimers are connected by weaker C–H···π and π···π interactions. A calculation was performed for the isolated molecule and for the dimer within the Hartree-Fock (HF) level with a 6-311G(d) basis set. In both calculations, the minimum of the energy is achieved with the phenyl rings assuming a more symmetric arrangement around the central carboxylic plane than is experimentally observed. Graphical Abstract In diphenylacetic acid the molecules are coupled in dimers by a strong hydrogen bonds. Weaker intermolecular interactions involving the aromatic ring π systems join the dimers together. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Crystal Structures of (2-oxo-2H-Quinaxalin-1-yl)-acetic Acid and its Cobalt and Nickel Complexes and Their Comparison with (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic Acid

Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its cobalt and nickel complexes are determined. The (2-oxo-2H-quinaxalin-1-yl)-acetic acid (1) crystallizes in orthorhombic, Pbca, a = 12.8571(11) ?, b = 9.4267(8) ?, c = 15.0095(13) ?, the cobalt complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (2) crystallizes as dihydrate in triclinic, P-1 space group with a = 4.81150(10) ?, b = 11.8631(2) ?, c = 12.4867(3) ?, α = 71.7800(10)°, β = 79.2490(10)°, γ = 84.9020(10)° whereas the nickel complex of (2-oxo-2H-quinaxalin-1-yl)-acetic acid (3) crystallizes in monoclinic, P2₁/c space group with a = 14.9210(5) ?, b = 4.81730(10) ?, c = 15.7672(5) ?. and β = 99.823(2)°. The crystal structure of the ligand and the complexes are compared with structures of (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its cobalt and nickel complexes. Index Abstract The crystal structures of (2-oxo-2H-quinaxalin-1-yl)-acetic acid and its nickel and cobalt complexes are compared with (1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid and its corresponding complexes with nickel(II) and cobalt(II).      

X-ray Crystal Structure of Trans -UO2(N(SiMe3)2)2(THF)2: One in a Series of Uranyl(VI) Complexes Supported by Bis(trimethylsilyl)amido Ligands

Abstract The title compound trans-UO₂(N(SiMe₃)₂)₂(THF)₂ (1) was synthesized and characterized by X-ray crystallography. The complex crystallizes in the monoclinic space group C2/c (#15) with lattice parameters a = 16.0771(5) ?, b = 13.1196(4) ?, c = 16.9391(6) ?, β = 116.853(1)°, V = 3187.61(18) ?³, Z = 4, D _calc = 1.532 g cm^-3. The six-coordinate uranium(VI) center adopts an all-trans octahedral geometry consisting of mutually trans oxo groups, silylamido ligands, and neutral THF donors. Structural comparisons of this uranyl(VI) bis(amido) complex with a related tris(amido) derivative within the series are made based on symmetry, charge, and coordination number. Graphical Abstract The X-ray crystal structure of the title complex is reported, providing comparisons based on symmetry, charge, and coordination number with a related uranyl(VI) amido derivative within this series.      

C–H···π and C=O···π Intermolecular Interactions in Dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate

Abstract A new pyrazine compound, has been synthesised and characterised by single-crystal X-ray diffraction: monoclinic, P2₁/c with a = 11.0707(3) ?, b = 5.23700(10) ?, c = 16.6997(5) ?, β = 103.5385(16)°, Mr = 376.40, V = 941.30(4) ?³, Z = 2. Each molecule possesses C _i symmetry with the two halves of the molecule related by an inversion centre. C–H···π and C=O···π interactions held the molecules together. Index Abstract C–H···π and C=O···π intermolecular interactions in dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate Joana A. Silva, Ana C. Santos, Ana T. Marques, Manuela Ramos Silva, Ana Matos Beja, Abílio J. F. N. Sobrala In dibenzyl-3,6-dimethylpyrazine-2,5-dicarboxylate, each molecule possesses C _i symmetry. The molecules are assembled in chains via carbonyl···π interactions. Electronic supplementary material The online version of this article (doi: ) contains supplementary material, which is available to authorized users.     

Synthesis and Crystal Structure of 4,6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde

Abstract The title compound, 3, 6-dihydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]- benzene-1,3-dicarbaldehyde was synthesized by Vilslmeier reaction from resveratrol (trans-3,4′,5-trihydroxystilbene). Its structure was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic, space group P2₁/n with crystallographic parameters: a = 7.2950(15) ?, b = 14.781(3) ?, c = 12.202(2) ?, β = 96.57(3)°, μ = 0.108 mm⁻¹, V = 1307.1(5) ?, Z = 4, Dx = 1.445 g/cm³, F(000) = 592, T = 293(2) K, 2.17°≤ θ ≤ 26.00°. The X-ray results demonstrated that the Vilslmeier reaction of resveratrol with DMF, POCl₃ and CH₃CN yielded 4,6-dhydroxy-2-[2-(4-hydroxy-phenyl)-vinyl]-benzene-1,3-dicarbaldehyde. Graphical Abstract In this article, a resveratrol derivative was prepared and structurally characterized by single crystal X-ray diffraction.      

Synthesis and Structure of Di-μ-oxo-bistripyrazolylborato Dioxo Vanadium (V) Complex with Lattice of Diacetonitrile

Abstract A novel oxovanadium complex was obtained by the reaction of VOSO₄ · 3H₂O with tripyrazolylborate sodium in MeOH. The complex (1) was characterized by element analysis, IR spectroscopy, ¹HNMR and its crystal for X-ray diffraction recrystallized from saturated CH₃CN solution. The compound crystallizes in the monoclinic, space group Pbca, with cell dimensions of a = 15.531(2) ?; b = 18.007(2) ?; c = 10.725(2) ?; V = 2,999.4(8) ?³ and D _calc = 1.533 g/cm³ for Z = 4. The structure was solved by direct methods and refined to an R-value of 0.0401. Structure analysis show that it is a di-μ-oxo-bistripyrazolylborato dioxo vanadium (V) complex with lattice of diacetonitrile. In addition, the electronic structure and the bonding characters of the complex were analyzed with ab initio calculations. Index Abstract Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis and Crystal Structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) Salt · [(<Emphasis Type="Italic">n</Emphasis>-Bu)<Subscript>4</Subscript>N]<Subscript>2</Subscript>[Azodicyd<Superscript>2−</Superscript>] · H<Subscript>2</Subscript>O

Abstract The chemical preparation and crystal structure for a 4,4′-azodi(phenylcyanamide) salt) in the solid state are reported. This compound crystallizes in the triclinic space group P with the following unit cell parameters: a = 9.759(3) ?, b = 11.237(4) ?, c = 11.919(4) ?, α = 95.54(3)°, β = 98.50(3)°, γ = 109.39(2)°, Z = 1 and V = 1204.4(7) ?³. The 4,4′-azodi(phenylcyanamide) dianion, azodicyd²⁻, is approximately planar, with the cyanamide groups (–N=C=N) in an anti conformation relative to each other and the azo group (–N=N–) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and one water molecule in unit cell. Intermolecular O–H···N hydrogen bonds may be effective in the stabilization of the crystal structure of this compound and to form linear chain structure in the packing. Index Abstract Synthesis and crystal structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) salt . [(n-Bu)4N]2[Azodicyd^2-] · H₂O Davar M. Boghaei ^1*, Fatemeh Behzadian-Asl ¹ and Hamid Reza Khavasi^{2 1} Department of Chemistry, Sharif University of Technology, P.O. Box 11155-9616, Tehran, Iran ² Department of Chemistry, Shahid Beheshti University, Evin, Tehran 1983963113, Iran Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

X-ray Diffraction and DFT Studies of 2-Methoxy-5-phenylaniline

Abstract 2-Methoxy-5-phenylaniline, a promissor monomer for PANI studies, has been characterized by single-crystal X-ray diffraction at two temperatures: orthorhombic, space group P2₁2₁2₁, Z = 12 with a = 5.9900(2) ?, b = 20.4873(6) ?, c = 26.3727(8) ? and R = 0.0868 for 293(2) K and a = 5.8337(9) ?, b = 20.4428(31) ?, c = 26.0773(40) ? and R = 0.0669 for 120(2) K. There are three independent molecules in the unit cell. One of them is approximately planar, the other two have the phenyl rings rotated. At room temperature the two latter molecules are joined in dimers through H-bonds and at low temperature the same molecules are joined in columns that run along the a-axis. Index Abstract X-ray Diffraction and DFT Studies of 2-Methoxy-5-phenylaniline Ana T. Marques, Joana A. Silva, Manuela Ramos Silva, Ana Matos Beja, Licinia L. G. Justino, Abilio J. F. N. Sobral 2-Methoxy-5-phenylaniline, a promissor monomer for PANI studies, has been characterized by single-crystal X-ray diffraction at 293(2) K and 120(2) K. The three independent molecules in the unit cell show different conformations and establish distinct intermolecular H-bonds.      

Separation of (<Emphasis Type="Italic">S</Emphasis>)-(−)-3-Methyl-2-pyrrolidinone as an Inclusion Complex with (<Emphasis Type="Italic">R</Emphasis>)-(+)-4,4′,6,6′-Tetrachloro-2,2′-bis(hydroxydiphenylmethyl)-1,1′-biphenyl Host and its X-ray Structural Study

Abstract By inclusion complexation with the chiral host compound (R)-(+)-4,4′,6,6′-tetrachloro-2,2′-bis(hydroxydiphenylmethyl)-1,1′-biphenyl, racemic 3-methyl-2-pyrrolidinone was resolved and its (S)-(−)-enantiomer was isolated as a 1:1 inclusion complex, which crystallises in the orthorhombic crystal system in the space group P2₁2₁2₁ (a = 14.1163(2) ?, b = 14.7140(3) ?, c = 17.2025(3) ?). By the inclusion complexation, the keto–enol equilibrium of the guest was frozen and the keto-form was isolated in a pure form. By X-ray structural study of the complex, the guest molecule included was elucidated to be the keto-form and its absolute configuration was determined to be (S). Index Abstract By inclusion complexation with (R)-(+)-4,4′,6,6′-tetrachloro-2,2′-bis (hydroxydiphenylmethyl)-biphenyl, racemic 3-methyl-2-pyrrolidinone was resolved and its (S)-(−)-enantiomer isolated and in addition the keto–enol equilibrium of the guest was frozen and the keto-form isolated. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis,Characterization and Crystal Structure of the Bis(2,4-dinitrobenzoato)tetrabutyldistannoxane(IV) Dimer

Abstract The title compound, bis(2,4-dinitrobenzoato)tetrabutyldistannoxane(IV), was obtained from the reaction of di-n-butyltin(IV) oxide with 2,4-dinitrobenzoic acid. It crystallizes out as the usual dicarboxylatotetrabutyldistannoxane(IV) dimer. In the monoclinic system P2₁/c, a = 12.391(3) ?, b = 19.937(5) ?, c = 15.026(4) ?, α = γ = 90°, β = 102.857(2)°, V = 3618.95(16) ?³ and Z = 2. A crystal structure determination of the title compound reveals the presence of a centrosymmetric planar Sn₂O₂, with two different environments for tin atoms and two distinct carboxylate groups. Two of the carboxylate groups are bonded to the exocyclic tin atom in a bidentate bridging manner and the remaining two carboxylate groups are bonded to the tin atom in a monodentate manner. As a result, both the tin atoms moieties in the complex are five coordinate and exhibit trigonal bipyramid geometry. Index Abstract Synthesis, Characterization and Crystal Structure of the Bis(2,4-dinitrobenzoato)tetrabutyldistannoxane(IV) Dimer Yip Foo Win, Teoh Siang Guan, Lim Eng Khoon, Shea Lin Ng, Hoong Kun Fun A crystal structure determination of the title compound reveals the presence of a centrosymmetric planar Sn₂O₂, with two different environments for tin atoms and two distinct carboxylate groups.      

Synthesis and Crystal Structure of La(NO<Subscript>2</Subscript>)(SO<Subscript>4</Subscript>)(H<Subscript>2</Subscript>O)

Abstract Single crystals of new open-framework lanthanide sulphate nitrite La(NO₂)(SO₄)(H₂O) has been synthesized, in the presence of 2,6-diformyl-4-chlorophenol. His structure has been determined by X-ray diffraction data: the complex crystallizes in the tetragonal system, space group P4₃, with a = 7.0028(2) (?), b = 7.0028(2) (?), c = 11.8341(4) ?, V = 580.34(3) ?³, Z = 4, D _c = 3.582 Mg m⁻³. The three-dimensional (3D) framework of this compound is built up by the linkages of lanthanide atoms and the oxygen atoms of the sulphate and nitrite groups. The lanthanum atom is 9-fold coordinated. The structure is unfamiliar in lanthanide chemistry and this compound represents the first example of nitrite lanthanide sulphate complex. Graphical Abstract An unfamiliar structure in lanthanide chemistry represented by the first example of nitrite lanthanide sulphate complex is described.      

Synthesis,Crystal Structure,Cytotoxic and Apoptotic Activity of 2,4-Dichloro-6-methylquinoline on Human Oral Carcinoma Cell Line

Abstract The present report describes the synthesis, IR spectra, 3-dimensional structure of the compound 2,4-dichloro-6-methylquinoline and evaluation of its anti-cancer activity using propidium iodide (PI) staining and annexin binding assay techniques. This derivative of quinoline was synthesized from the mixture of p-toluidine and malonic acid and synthesis has been achieved in a one-pot reaction from an aryl amine, malonic acid and phosphorous oxychloride. Crystallographic data reveals that the crystals belong to triclinic crystal system with space group P-1 with the unit cell dimensions of a = 7.14(1) ?, b = 11.53(1) ?, c = 11.97(1) ? and α = 90.18° (10), β = 106.31° (10), γ = 91.07° (10). The in vitro anti-cancer assay indicated that compound has cytotoxic and apoptotic activity on human oral squamous carcinoma (KB) cell line, thus it could be developed as a potent anti-cancer agent. Graphical Abstract Synthesis, Crystal Structure, Cytotoxic and Apoptotic Activity of 2,4-Dichloro-6-methylquinoline on Human Oral Carcinoma Cell Line R. K. Somvanshia, R. Subashinib, V. Dhanasekaranb, G. Arulprakashb, S. N. Dasc, S. Deya