Molecular structure of methyl 1-isopropenyl-5a,5b,8,8,14a-pentamethyl-1,2,3,3a,4,5,5a,5b,6,7,7a,8,9,14,14a,14b,15,16,16a,16b-icosahydrocyclopenta[7,8] phenanthro[2,1-b]carbazole-3a-carboxylate

The molecular and crystal structure of methyl 1-isopropenyl-5a,5b,8,8,14a-pentamethyl-1,2,3,3a,4,5,5a,5b, 6,7,7a,8,9,14,14a,14b,15,16,16a,16b-icosahydrocyclopenta[7,8]phenenthro[2,1-b]carbazole-3a-carboxylate is determined. Compound C₃₇H₅₁NO₂ II crystallizes in the C2 chiral space group: a = 27.0380(5) ?, b = 7.9817(15) ?, c = 18.1980(3) ?, β = 123.580(3)°.     

Crystal and molecular structure of (NH4)2[UO2(NO3)4] and [(NH4)(18C6)]2[UO2(NO3)4]

Single crystals of diammonium tetranitratouranylate (NH₄)₂[UO₂(NO₃)₄] (I) and a new diammonium tetranitratouranylate complex with 18-crown-6 [(NH₄)(18C6)]₂[UO₂(NO₃)₄] (II) have been synthesized by the reaction of diaquadinitratouranyl tetrahydrate with ammonium nitrate in a nitric acid solution and the reaction of the same reagents with 18C6 in an ethanol solution, respectively. The X-ray diffraction analysis of compounds I and II has been performed. Crystals of compounds I and II are monoclinic, Z = 2, space group P2₁/n, a = 6.4075(5) ?, b = 7.7851(7) ?, c = 12.4461(12) ?, β = 101.239(1)°, V = 608. 94(9) ?³ for compound I and a = 10.542(9) ?, b = 8.590(8) ?, c = 22.5019(19) ?, β = 101.632(1)°, V = 2058.3(3) ?³ for compound II. The [UO₂(NO₃)₄]²⁻ complex anion in compounds I and II contains two monodentate and two bidentate cyclic nitrato groups, and the coordination number of uranyl is 6. The 18C6 molecule in the structure of compound II has the classic crown conformation and combined with the ammonium ion by three hydrogen bonds. Compounds I and II formed by electrostatic attraction forces between counterions are stabilized by (NH₄⁺)NH...O(NO₃⁻) interionic hydrogen bonds.     

Synthesis and X-ray diffraction study of R[UO2(CH3COO)3] (R = H3O+ or NH(C2H5) 3+ )

Single crystals of (H₃O)[UO₂(CH₃COO)₃] (I) and (NH(C₂H₅)₃)[UO₂(CH₃COO)₃] (II) are synthesized, and their structures are studied by X-ray crystallography. Compound I crystallizes in the tetragonal crystal system with the unit cell parameters a = 13.70640(10) ?, c = 27.5258(5) ?, V = 5171.14(11) ?³, space group I4₁/a, Z = 16, R = 0.0238. The crystals of compound II are orthorhombic with the parameters a = 13.3685(3) ?, b = 10.6990(3) ?, c = 12.2616(3) ?, V = 1753.77(8) ?³, space group Pna2₁, Z = 4, R = 0.0228. The uranium-containing structural units of crystals I and II are [UO₂(CH₃COO)₃]⁻ island mononuclear groups belonging to the A B₃⁰¹(A = UO₂²⁺, B⁰¹ = CH₃COO⁻) crystal-chemical group of uranyl complexes. [UO₂(CH₃COO)₃]⁻ complexes are linked into a three-dimensional framework by electrostatic interactions with the outer-sphere cations and by hydrogen bonds involving the hydrogen atoms of hydroxonium (I) or triethylammonium (II) with the oxygen atoms of the acetato groups.     

Heterometallic clusters with the {MoNbI8} core: The synthesis and crystal structures of (Ph4P)2[Mo5NbI8Cl6] and (4-MePyH)5[Mo5NbI8Cl6]Cl2

Heterometallic chloride complexes [Mo₅NbI₈Cl₆] ⁿ⁻ (n = 2, 3) are synthesized. The crystal structures of their salts are determined: for (Ph₄P)₂[Mo₅NbI₈Cl₆] (I), triclinic crystal system, spacegroup P [`1]\bar 1, a = 10.9886(6), b = 11.4604(5), c = 13.4343(7) ?, α = 66.124(2), β = 86.892(2), γ = 86.490(2)°, Z = 1, V = 1543.35(13) ?³; and for (4-MePyH)₅[Mo₅NbI₈Cl₆]Cl₂ (II), monoclinic crystal system, space group C2/m, a = 16.4937(4), b = 14.7335(3), c = 11.6534(3) ?, β = 99.8750(10)°, Z = 2, V = 2789.94(11) ? The geometric parameters of compounds I and II and the conditions for the formation of the complexes with the charges −2 and −3 are discussed.     

Structure and properties of double complex salts [Co(NH3)6][Fe(CN)6] and [Co(NH3)6]2[Cu(C2O4)2]3

Double complex salts (DCSs) [Co(NH₃)₆][Fe(CN)₆] (I) and [Co(NH₃)₆]₂[Cu(C₂O₄)₂]₃ (II) and complex [Co(NH₃)₆]₂(C₂O₄)₃·4H₂O (III) are synthesized and investigated by single crystal XRD, crystal optics, and elemental analysis. The crystalline phases of I, II, and III (R-3, P2₁/c, and Pnnm space groups respectively) have the following crystallographic characteristics: a = 10.9804(2) ?, b = 10.9804(2) ?, c = 10.8224(3) ?, V = 1130.03(4) ?³, Z = 3, d _x = 1.65 g/cm³ (I); a = 9.6370(2) ?, b = 10.2452(2) ?, c = 13.2108(3) ?, V = 1932.90(9) ?³, Z = 2, d _x= 1.97 g/cm³ (II), and a = 11.7658(3) ?, b = 11.7254(3) ?, c = 14.1913(4) ?, V = 1304.34(5) ?³, Z = 2, d _x = 1.68 g/cm³ (III). This paper investigates the products of DCS thermolysis in a hydrogen atmosphere: the intermetallic compound CoFe with the bcc parameter a = 2.852 ? for I and a heterogeneous mixture of Co and Cu in the decomposition of II. The coordinated CN⁻ and C₂O₄²⁻ groups then turn into NH₃, hydrocarbons, and CO₂. The dominant hydrocarbon is methane.     

三有机锡(4R)-3-[[(2S)-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸酯的合成、结构和体外抗癌活性

利用三有机锡氢氧化物和手性配体(4R)-3-[[(2S)-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸(HL)反应合成了3个三有机锡(4R)-3-[[(2S)-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸酯R3SnL[1,R=c-C6H11(a),C6H5(b),C6H5C(CH3)2CH2(c)],通过元素分析、IR、1H NMR和X-射线单晶衍射表征了其结构。化合物1a属正交晶系,P212121空间群;化合物1b属单斜晶系,P21空间群。二者均为由羧基氧和内酰胺羰基氧桥联配位形成的右螺旋链状有机锡配位聚合物,锡原子具有五配位[SnC3O2]畸变三角双锥构型。化合物1a和1b对体外2种人癌细胞Colo205和Bcap37增殖均有强的抑制作用,其活性为1b1a。     

三有机锡（4R）-3-[[（2S）-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸酯的合成、结构和体外抗癌活性

利用三有机锡氢氧化物和手性配体（4R）-3-[[（2S）-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸（HL）反应合成了3个三有机锡（4R）-3-[[（2S）-5-氧-2-吡咯烷基]羰基]-4-噻唑烷甲酸酯R₃SnL[1,R=c-C₆H₁₁（a）,C₆H₅（b）,C₆H₅C（CH₃）₂CH₂（c）],通过元素分析、IR、¹H NMR和X-射线单晶衍射表征了其结构。化合物1a属正交晶系,P2₁2₁2₁空间群;化合物1b属单斜晶系,P2₁空间群。二者均为由羧基氧和内酰胺羰基氧桥联配位形成的右螺旋链状有机锡配位聚合物,锡原子具有五配位[SnC₃O₂]畸变三角双锥构型。化合物1a和1b对体外2种人癌细胞Colo205和Bcap37增殖均有强的抑制作用,其活性为1b >1a。     

Tetrahedral complexes of zinc(II) chloride with N- and O-containing organic ligands: Synthesis and crystal structures of [ZnCl2(C12H12N2O)] and [ZnCl2(H2O)2](Me4Pyz)2

New complex chlorides [ZnCl₂(ODA)] (I) (ODA=oxydianiline, C₁₂H₁₂N₂O) and [ZnCl₂(H₂O)₂](Me₄Pyz)₂ (II) (Me₄Pyz = 2,3,5,6-tetramethylpyrazine) were synthesized and crystallographically characterized. Crystals of I are monoclinic, space group C2/c, a = 22.682(2) ?, b = 12.646(1) ?, c = 9.951(1) ?, β = 93.23(2)°, V = 2849.7(5) ?³, ρ_calc = 1.569 g/cm³, Z = 8. Structure I contains cyclic fragments consisting of two tetrahedral complexes (ZnCl₂N₂) and two coordinated bridging oxydianiline ligands. Crystals of II are monoclinic, space group P2(1)/c, a = 8.972(2) ?, b = 13.862(3) ?, c = 17.528(4) ?, β = 101.72(3)°, V = 2134.5(7) ?³, ρ_calc = 1.384 g/cm³, Z = 4. In structure II, supramolecular pseudo-metallocycles are formed due to formation of hydrogen bonds O(w)-H…N between coordinated water molecules and noncoordinated nitrogen atoms of tetramethylpyrazine molecules.     

Structure and thermal properties of [RhPy4Cl2]X complex salts (X = Cl?, ReO 4? , ClO 4? )

[RhPy₄Cl₂]Cl·4H₂O (I), [RhPy₄Cl₂]ReO₄ (II), [RhPy₄Cl₂]ClO₄ (III), and [RhPy₄Cl₂]ReO₄·2H₂O complex salts were synthesized. The crystal structure of compounds II (P4/ncc, a = 25.5655(3) ?, c = 14.3521(4) ?), III (P2₁/n, a = 13.5308(3) ?, b = 15.1044(5) ?, c = 23.3457(8) ?, β = 93.327°), and dyhydrate of II (Pbcm, a = 10.6199(9) ?, b = 10.4964(9) ?, c = 22.9834(16)?) was determined by X-ray diffraction analysis. The thermal transformations of the complexes were studied by differential thermal analysis. The substances were characterized by IR spectroscopy, XRPA, and element analysis Original Russian Text Copyright ? 2009 by D. B. Vasilchenko, I. A. Baidina, E. Yu. Filatov, and S. V. Korenev __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 2, pp. 349–356, March–April, 2009.     

Structure of uranyl complexes with acetylenedicarboxylic acid, K(H5O2)[UO2(OOCC≡CCOO)2 · H2O] · 2H2O and Cs2[UO2(OOCC≡CCOO)2 · H2O] · 2H2O

Uranyl complexes with acetylenedicarboxylic acid, K(H₅O₂)[UO₂L₂H₂O] · 2H₂O (I) and Cs₂[UO₂L₂H₂O] · 2H₂O (II), L²⁻ = C₄O ₄ ²⁻ were prepared for the first time. The composition and structure of the complexes were determined by X-ray diffraction. The crystal data are as follows: a = 16.254(12) ?, b = 13.508(8) ?, c = 7.683(6) ?, β = 90.91(7)°, space group C2/c, V = 1687(2) ?³ (I); a = 7.0745(10), b = 18.4246(10), c = 13.1383(10) ?, space group Abm2, V = 1712.5(3) ?³ (II). The structures of I and II are based on [UO₂L₂H₂O] _n ²⁻ anionic chains stretched along the [101] direction (I) or [010] direction (II). In I and II, the uranium coordination polyhedron is a pentagonal bipyramid in which the equatorial environment of the uranyl ions is formed by the oxygen atoms of the four L²⁻ anions and the water molecule. The L²⁻ anions in I and II are bidentate bridging ligands connecting two uranium atoms that are next to each other in the anionic chain; their coordination capacity is equal to 2. In I, the K⁺ and H₅O ₂ ⁺ cations are outer-sphere species. The latter form hydrogen bonds combining the anionic chains shifted by translation b with respect to each other. The [UO₂L₂H₂O] _n ²⁻ chains in I are surrounded by the potassium and oxonium cations; in II, these are combined by hydrogen bonds into anionic layers between which Cs⁺ cations are arranged. The IR spectrum of compound II was measured and interpreted. Original Russian Text ? I.A. Charushnikova, A.M. Fedoseev, N.A. Budantseva, I.N. Polyakova, Ph. Moisy, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 1, pp. 63–69.     

Synthesis, structures, and electrophysical properties of single crystals of solid solutions CdGeAs2:Mn(x) and Cd0.964Zn0.036GeAs2:Mn(x)

Single crystals of the solid solutions CdGeAs₂:Mn(x) and Cd_0.964Zn_0.036GeAs₂:Mn(x) have been grown by the vertical Bridgman method. An X-ray diffraction study has demonstrated that Cd_0.964Zn_0.036GeAs₂ (I), Cd_0.964Zn_0.036GeAs₂:Mn (1.5 wt%) (II), and Cd_0.964Zn_0.036GeAs₂:Mn (2.18 wt %) (III) retain the CdGeAs₂ structure (tetragonal system, space group I 2d). The unit cell parameters of the solid solutions are as follows: a = b = 5.934(1) ?, c = 11.219(2) ? for I; a = b = 5.919(1) ?, c = 11.204(2) ? for II; and a = b = 5.918(1) ?, c = 11.208(2) ? for III. Many of Mn atoms in II and III occupy interstitial sites in the crystal lattice. Selected electrical and magnetic properties of single crystals of CdGeAs₂:Mn(x) are discussed. Original Russian Text ? S.G. Mikhailov, K.K. Palkina, A.V. Molchanov, S.F. Marenkin, T.V. Filippova, L.I. Ochertyanova, I.S. Zakharov, A.V. Kochura, R. Laiho, E. Lahderanta, A. Lashkul, M.A. Shakhov, 2007, published in Zhurnal Neorganicheskoi Khimii, 2007, Vol. 52, No. 11, pp. 1879–1885.     

One-and two-dimensional silver-tetramethylpyrazine coordination polymers with uncoordinated anions: Synthesis and structure of [Ag(Me4Pyz)]PF6 and [Ag2(Me4Pyz)3](BF4)2·H2O

Coordination polymers [Ag(Me₄Pyz)] PF₆(I) and [Ag₂(Me₄Pyz)₃](BF₄)₂·H₂O (II) have been synthesized, and their structures have been determined. The crystals of I are monoclinic, space group C2/c, a = 9.440(2) ?, b = 10.587(2) ?, c = 13.165(3) ?, β= 107.19(3)°, V = 1257.0(5) ?³, d = 2.056 g/cm³, Z = 4. The crystals of II are monoclinic, space group P2₁/n, a = 13.062(3) ?, b = 12.259(2) ?, c = 18.996(4) ?, β = 97.73(3)°, V = 3014.1(11)?³, ρ = 1.798 g/cm³, Z = 4. The structure of I is built of linear polymeric cations [Ag(C₈H₁₂N₂)] _∞ ⁺ and octahedral anions [PF₆]⁻. Upon the interaction of tetramethylpyrazine molecule with Ag⁺ ions, intersecting polymeric chains [Ag(C₈H₁₂)] _∞ ⁺ (1D polymer) are formed extending in mutually perpendicular diagonal directions. The structure of II consists of layers (2D polymers) formed by fused sixmembered rings. These rings consist of Ag⁺ ions linked by bridging ligands Me₄Pyz. Original Russian Text ? Yu.V. Kokunov, Yu.E. Gorbunova, 2007, published in Zhurnal Neorganicheskoi Khimii, 2007, Vol. 52, No. 5, pp. 743–750.     

trans-dinitro- and trans-dinitratoruthenium complexes [RuNO(NH3)2(NO2)2(OH)] and [RuNO(NH3)2(H2O)(NO3)2]NO3·H2O

Methods for the synthesis of trans-diammino complexes [RuNO(NH₃)₂(NO₂)₂(OH)] (I) and [RuNO(NH₃)₂(H₂O)(NO₃)₂](NO₃)·H₂O (II) are suggested. The compounds were studied by IR spectroscopy and X-ray phase and X-ray structural analyses. Crystal data: space group P-1; a = 6.2328(2) ?, b = 11.0488(3) ?, c = 11.0981(4) ?, α = 71.942(1)°, β = 83.291(1)°, γ = 86.877(1)° (I); space group P2₁; a = 6.6290(2) ?, b = 13.4389(5) ?, c = 7.0180(2) ?, β 114.281(1)° (II). Complex II readily lost some part of crystal water on storage in open air. Original Russian Text Copyright ? 2009 by M. A. Il’in, E. V. Kabin, V. A. Emel’yanov, I. A. Baidina, and V. A. Vorob’yov __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 2, pp. 341–348, March–April, 2009.     

The Cu(I) thiocyanate complexes with N-allylquinolinium: Synthesis and crystal structures of [C9H7NC3H5]Cu(SCN)2 and [C9H7NC3H5]Cu2(SCN)3

The crystals of [C₉H₇NC₃H₅]Cu(SCN)₂ (I) and [C₉H₇NC₃H₅]Cu₂(SCN)₃ (II) were obtained in the reaction of N-allylquinolinium bromide with CuSCN and NH₄SCN in a methanol solution. The crystals of I are triclinic: space group P , Z = 2, a = 8.619(2), b = 8.755(2), c = 10.463(3) ?, α = 77.18(3), β = 69.95(3), γ = 79.38(3)°, V = 718.1(3) ?³. The crystals of II are opthorhombic: space group P2₁2₁2₁, Z = 4, a = 5.744(2), b = 16.799(4), c = 17.980(5), V = 1735.9(9) ?³. The structure of compound I is built of infinite linear {Cu(SCN)₂⁻}_∞ anions and the N-allylquinolinium cations bonded additionally by relatively weak hydrogen contacts C-H...S. The [C₉H₇NC₃H₅]⁺ cations are located between the corrugated layers of the {Cu₂(SCN)₃⁻}_∞ anions in compound II. As in the case of the previously studied copper(I) halide complexes, the C=C bond of the allyl group in the N-allylquinolinium cation of complexes I, II does not interact with Cu(I). Original Russian Text ? A.V. Pavlyuk, V. Kinzhybalo, T. Lis, M.G. Mys’kiv, 2008, published in Koordinatsionnaya Khimiya, 2008, Vol. 34, No. 10, pp. 764–769.     

Two New Octahedral Cd(II) Complexes [Cd(L)2] and {[Cd(LH)2(SCN)2]H2O} [L = C6H5C(OH)NN = C(CH3)C5H4N]: Synthesis and Structural Studies

Two new octahedral Cd(II) complexes [Cd(L)₂] (1) and {[Cd(LH)₂(SCN)₂]H₂O} (2) [where LH = C₁₄H₁₃N₃O] are synthesized using a tridentate hydrazone ligand (LH) and they are characterized by elemental analysis, IR spectra, NMR spectra, thermal studies and finally the structures have been determined by single crystal X-ray diffraction. Complex 1 crystallizes in monoclinic system, space group C2/c with a = 22.565(6) ?, b = 10.252(3) ?, c = 12.187(4) ?, β = 118.851(2)^∘, and Z = 4. Complex 2 also crystallizes in the monoclinic system, space group P2₁/c with a = 9.257(9)?, b = 17.809(2)?, c = 9.548(9)?, β = 107.439(4)^∘, and Z = 2. In 1 the ligand binds the Cd(II) ion in tridentate fashion, whereas in 2 it acts as a bidentate ligand.     

Molecular and crystal structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen -2-yl)butane-1,3-dione

Single crystal X-ray diffraction is used to determine the crystal and molecular structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen-2-yl)butane-1,3-dione. Crystallographic data for C₁₄H₈F₄N₂O₂S are as follows: a = 8.2723(6) ?, b = 9.3009(7) ?, c = 9.9895(7) ?; α = 79.224(2)°, β = 75.851(2)°, γ = 72.337(2)°. Triclinic crystal system, P-1 space group, d _x = 1.622 g/cm³, V = 704.83(9) ?³, μ = 0.286 mm⁻¹, crystal size 0.30×0.20×0.20 mm, R1 = 0.0891, wR2 = 0.1989.     

Crystal structure of 2-(6-chloro-4-P-tolylamino)pyrido[3,2-d]pyrimidin-1-ium-1-yl)acetate oxonium bromide

The crystals of 2-(6-chloro-4-(p-tolylamino)pyrido[3,2-d]pyrimidin-1-ium-1-yl)acetate (zwitterionic form) oxonium bromide, C₁₆H₁₃ClN₄O₂·Br⁻·H₃O⁺ (I) were prepared and studied by single-crystal X-ray diffraction method. The compound crystallizes in the triclinic space group P-1 with a = 8.3121(8) ?, b = 9.3885(8) ?, c = 13.2903(12)?, α = 106.788(2)°, β = 95.204(3)°, γ = 110.871(2)°, V = 905.81(14) ?³, Z = 2; final R = 0.053, wR2 = 0.150. It is interesting that methylene C in the BrCH₂COOH molecule binds to the N1 of the pyrimidine ring. In the crystal studied, two neighboring organic molecules are connected by hydrogen bonds through carboxylate oxygen, oxonium and bromide ions to form a dimer.     

Synthesis, crystal structure, and spectra of 9(E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone and its cation-anion complex with copper(I) bromide

The reaction of 1-hydrazino-3,3-dimethyl-3,4-dihydroisoquinoline with 9,10-phenanthrenequinone gave (9E)-phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazone (L). The reaction of L with copper(II) bromide gave the complex (LH)[CuBr₂]. The crystal structures of the monohydrate L · H₂O (I) and the isolated complex (LH)[CuBr₂] (II) were determined by X-ray diffraction. The structural units of I are pseudo-centrosymmetric dimers in which the L and water molecules are combined by strong hydrogen bonds. The active H atom is located at the N(1) atom of the isoquinoline fragment of the L molecule. The L molecule occurs in the crystal as the cis, trans isomer with respect to exocyclic C=N bonds at the isoquinoline and phenanthrenequinone fragments, respectively. Complex II has a cation-anion structure. The LH⁺ cation as the cis, cis isomer is protonated at N(2) and stabilized by two intramolecular hydrogen bonds. In the CuBr₂⁻ anion, the copper atom in the oxidation state +1 has a linear coordination, the C-Br bond length is 2.185(4) ± 0.005 ?, and the BrCuBr angle is 179.8(4)°. The main ion-ion interactions in structure II are shortened contacts involving bromine atoms, which combine cations and anions into a three-dimensional framework. Original Russian Text ? V.V. Davydov, V.I. Sokol, N.V. Rychagina, R.V. Linko, M.A. Ryabov, Yu.V. Shklyaev, V.S. Sergienko, 2009, published in Zhurnal Neorganicheskoi Khimii, 2009, Vol. 54, No. 6, pp. 958–970.     

Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid

Compounds 4-(oxiran-2-ylmethoxy)benzoic acid (2) and 4-acetoxybenzoic acid (4) are synthesized by a new synthetic route and studied by X-ray crystallography. Compound 2 crystallizes in the monoclinic system, P2₁/n space group, a = 5.1209(2) ?, b = 30.3429(16) ?, c = 5.9153(3) ?, β = 96.725(3)°, V = 912.81(8) ?³, Z = 4. Compound 4 crystallizes in the triclinic system, P-1 space group, a = 7.3400(4) ?, b = 8.0819(3) ?, c = 15.6548(9) ?, α = 85.754(3)°, β = 84.268(2)°, γ = 70.023(3)°, V = 867.63(8) ?³, Z = 4. The crystal structure of 2 comprises two crystallographically independent molecules of the compound. In the crystal structures of 2 and 4, pairs of molecules form carboxyl dimers.     

Crystal and molecular structure of 4(3-acryloyloxy)octyloxy- and 4(3-acryloyloxy)hexyloxy-4′-cyanobiphenyls

The molecular and crystal structures of N≡C-C₆H₄-C₆H₄-O-(CH₂)₈-O-CO-CH=CH₂ (4(3-acryloyloxy)octyloxy-4′-cyanobiphenyl) (I) and N≡C-C₆H₄-C₆H₄-O-(CH₂)₆-O-CO-CH=CH₂ (4(3-acryloyloxy)hexyloxy-4′-cyanobiphenyl) (II) were determined by X-ray diffraction. The structures of I and II are stereotype. The space group of I and II is C2/c, Z = 8; lattice parameters I: a = 34.677(7)?, b = 9.452(2)?, c = 13.004(3) ?, β = 99.30(3)°; II: a = 30.858(6) ?, b = 9.504(2) ?, c = 13.082(2) ?, β = 92.78(3)°. The planar extended molecules I and II are packed in the unit cell to give clearly differentiated aliphatic and aromatic regions throughout the whole crystal. All intermolecular contacts are concentrated in the aromatic region. The molecular packing is very loose but the aromatic areas of I and II fully coincide. The only free parameter of the structure is the length of the aliphatic chain (CH₂)n (n = 8 and 6). According to DSC data, compound I possesses enantiotropic mesomorphism and II possesses monotropic mesomorphism.