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1.
L. D. Popov E. A. Raspopova A. N. Morozov S. I. Levchenkov G. G. Aleksandrov A. S. Burlov I. N. Shcherbakov V. A. Kogan 《Russian Journal of Coordination Chemistry》2014,40(11):806-812
2-N-Tosylaminobenzaldehyde ferrocenoylhydrazone (H2L) and the octahedral nickel(II) complex [Ni(HL)2] · 2CH3OH (I) are synthesized and structurally characterized (CIF files CCDC 981876 (H2L) and 981877 (I)). The crystal structures of both compounds include two independent molecules with different mutual orientations of the tosyl and ferrocene fragments. In a single crystal of H2L, the independent molecules are joined by intermolecular hydrogen bonds into infinite linear chains extended along the crystallographic axis x. The π-stacking interaction between the cyclopentadienyl rings is observed along with hydrogen bonds in a single crystal of complex I. 相似文献
2.
The title compounds bis-tetrazolate ammonium salt (I) and bis-tetrazole monohydrate (II) are synthesized and studied by single crystal and powder X-ray diffraction, IR and elemental analyses. Compound I crystallizes in the monoclinic space group C2/m, a = 8.8862(17) Å, b = 11.2334(21) Å, c = 3.7269(7) Å, β = 99.4(6)°, V = 367.03 Å3 (12), Z = 2. Compound II crystallizes in the monoclinic space group P21/c, a = 5.1701(9) Å, b = 4.7506(8) Å, c = 15.2197(24) Å, β = 107.2(7)°, V = 357.09(10) Å3, Z = 2. In the structure of I, both ammonium cation and bis-tetrazolate counter-anion are located on twofold crystallographic axes, moreover, the bis-tetrazolate anion has a mirror plane passing through the ’C1-C1a bond. In the crystal structure of (II), the bis-tetrazole molecule sits on the twofold axis (bisecting the C1-C1a bond), whereas the solvent water molecule occupies a general position. In the crystal structure of (I), the molecules are packed via N-H…N intermolecular interactions. In the crystal structure of (II), the molecules are packed via N-H…O and O-H…O intermolecular interactions. In addition, the crystal packing of both structures is further strengthened by π-π stacking interactions. 相似文献
3.
E. G. Atovmyan I. I. Chuev L. A. Nikonova A. N. Utenyshev S. M. Aldoshin 《Russian Chemical Bulletin》1998,47(7):1331-1335
The reaction of isonicotinic hydrazide with furfural yieldedN′-furfurylideneisonicotinic hydrazide. IR spectroscopic studies demonstrated that crystallization from different solvents afforded products with an intermolecular NH...O=C hydrogen bond. Conditions of crystallization were chosen under which single crystals with the NH...NPy intermolecular hydrogen bond (1) were grown. X-ray diffraction analysis demonstrated that the molecular and crystal structure of1 is identical to that ofN′-thienylideneisonicotinic hydrazide (2). The crystal structure consists of layers. The molecules in the layers are linked in zigzag chains through NH...NPy intermolecular hydrogen bonds. The molecules of the adjacent chains (in the layer) are linked through C=O...H?C intermolecular hydrogen bonds between the O atom of the carbonyl group and the α-H atom of the furan ring. (In the structure of2, the chains are linked through specific intermolecular interactions of different nature but with approximately identical energy.) The replacement of the thiophene fragment (2) by the furan ring (1) is accompanied by a change in the intramolecular electronic effects, which is reflected both in the geometric and spectral characteristics of the molecules in the crystal. 相似文献
4.
Two new complexes [Co(NIT-1′-MeBzIm)2(Dca)2] (I) and [Ni(NIT-1′-MeBzIm)2(Dca)(H2O) · NO3 · H2O (II) (NIT-1′-MeBzIm = 2-{2′-[(l′-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide; Dca = N(CN)2) were prepared and structurally characterized by single-crystal X-ray diffraction. Relevant crystallographic parameters are as follows: monoclinic, P21/c space group, Z = 4; crystal data: C34H38N14O4Co, M = 765.71, a = 14.343(4), b = 14.322(4), c = 18.626(5) Å, β = 105.956(3)° for I. Orthorhombic Pna21 space group, Z = 4; crystal data: C32H42N12O9Ni, M = 797.49, a = 24.426(4), b = 11.0326(18), c = 13.980(2)Å for II. The X-ray analysis reveals that Co2+ ion and Ni2+ ion resides in a approximate sdistorted octahedron center. In I, the complex was linked by intermolecular hydrogen bonds, resulting in a 1D chain configuration. In II, the complex was linked by intermolecular hydrogen bonds, resulting in a 2D network configuration. 相似文献
5.
V. I. Sokol L. V. Baikalova V. S. Sergienko N. N. Chipanina N. I. Ivanova N. K. Gusarova B. A. Trofimov 《Russian Journal of Inorganic Chemistry》2009,54(6):906-915
The structures and conformations of a 2-[bis(2-ethylphenyl)thiophosphorylhydroxymethyl]-1-ethylbenzimidazole (L) molecule in the free form (Lfr) and in the [ZnCl2L]L complex (I) are compared using the X-ray diffraction data. In complex I, one ligand molecule (Lc) is coordinated to the zinc atom in the bidentate chelating mode and the second molecule (Lsolv) accomplishes the solvating function. An isomer with the cis orientation of the O(1) atom to the N(1) atom is observed in the crystal structure of Lfr, like Lsolv in complex I, with the formation of the five-membered corrugated H-heterocycle OC2NH. Lfr and Lsolv molecules differ in the arrangement of the aromatic rings of the 2R substituent of benzimidazole. Crystalline compound L forms dimeric associates in which three conjugate H-rings are closed by a bifurcate intermolecular hydrogen bond: two five-membered ONC2H rings and one planar four-membered N2H2 ring ((N(1)…N(1A), 3.705 and H(1)…H(1A) 2.67 Å). Unlike crystals of compound I with the π-π-stacking interaction between the planar-parallel aromatic rings of benzimidazole of the Lsolv and Lc molecules, the crystals of L have no similar interaction between the Lfr molecules. 相似文献
6.
S. Hussain I. U. Khan M. Akkurt S. Ahmad M. N. Tahir 《Russian Journal of Coordination Chemistry》2014,40(9):686-694
Two novel homobinuclear ytterbium(III) complexes, [Yb2(2AMB)6(H2O)4] · 2C2H6O (I) and Yb2(3AMB)6(H2O)4] · 3H2O (II) (2AMB = 2-aminobenzoic acid, 3AMB = 3-aminobenzoic acid) have been synthesized and characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis and X-ray crystallography (CIF files CCDC nos. 950103 (I), 921652 (II)). Complex I crystallizes in triclinic space group \(P\bar 1\) and complex II crystallizes in monoclinic space group P21/n. X-ray analysis shows that both complexes (I, II) have the dinuclear structure. The central Yb3+ ions in both complexes are eight-coordinated adopting distorted YbO8 dodecahedral geometry. Each Yb3+ ion is coordinated to two O atoms from bridging carboxylate, four O atoms from the chelating carboxylate ligands and two O atoms of water molecules. The crystal structure of I and II are stabilized by N-H…O, O-H…O, O-H…N, and C-H…O hydrogen bonds, C-H…π interactions and weak π-π stacking interactions. 相似文献
7.
V. V. Sharutin V. S. Senchurin O. K. Sharutina E. V. Akulova 《Russian Journal of General Chemistry》2008,78(12):2344-2352
tris(4-N,N-Dimethylaminophenyl)antimony dichloride (I) was prepared by the reaction of tris(4-N,N-dimethylaminophenyl)antimony with copper dichloride. tris(4-N,N-Dimethylaminophenyl)antimony difluoride benzene disolvate II was synthesized from dichloride I and sodium fluoride in aqueous acetone with the subsequent crystallization from benzene. tris(4-N,N-Dimethylaminophenyl)antimony dibenzoate III was obtained from tris(4-N,N-dimethylaminophenyl)antimony and benzoic acid in the presence of hydrogen peroxide in ether or from silver benzoate and the corresponding dichloride in acetone. According to X-ray studies Sb atoms in two crystallographically independent molecules of dichloride, difluoride benzene solvate, and dibenzoate have the distorted trigonal bipyramide coordination [ClSbCl, FSbF, and OSbO trans angles are 178.12(2)°, 178.57(3)°, 177.30°, and 176.49° respectively). Sb-Cl, Sb-F, and Sb-O interatomic distances are 2.4719(7)-2.505(7); 2.106(4); 2.438(2); 2.1212(13) Å respectively. The oxygen atoms of carbonyl groups of the molecule III (C 2v molecular symmetry) are coordinated to the central atom [Sb-O distance 2.987(1) Å]. 相似文献
8.
L. P. Oznobikhina N. N. Chipanina B. A. Shainyan T. N. Aksamentova E. V. Kondrashov G. G. Levkovskaya 《Russian Journal of General Chemistry》2009,79(6):1146-1151
Quantum-chemical calculations (B3LYP/6-311G**) of N-(1-trifluoromethylsulfonylamino-2,2,2-trichloroethyl)acrylamide CF3SO2NHCH(CCl3)NHC(O)CH=CH2 (I) in the isolated state revealed four local minima corresponding to the conformers with the syn- and antiperiplanar orientation of the C=O and N-H bonds in the amide fragment, two of which containing the intramolecular C(O)NH…O=S or SO2NH…O=C hydrogen bonds. Judged from the data of IR spectroscopy and dielectrometry, compound I in inert media exists predominantly in the form of conformer with antiperiplanar amide fragment and free NH group. Its self-associates in molecular crystals and solutions are formed by hydrogen bonds SO2NH…O=C. Spectroscopic acidity of compound I determined as the value of Δν(NH) upon interactions with DMF in CCl4 is higher than that of N-methyltrifluoromethanesulfonamide. 相似文献
9.
J. M. Ashurov B. T. Ibragimov N. S. Mukhamedov 《Russian Journal of Coordination Chemistry》2014,40(4):246-250
The results of syntheses and X-ray diffraction analyses of mononuclear complexes [ML2(H2O)4] (M = Co2+(I), Cu2+(II), and Zn2+(III)) containing water molecules and anions of acetic acid α-(N-benzoxazolin-2-one) (L = C9H6O4) are presented. The crystals of complexes I–III are isostructural (space group P21/n, Z = 2) and are built of discrete neutral complex molecules. The crystallographic data are as follows: for complex I, a = 6.1470(5), b = 5.3310(3), c = 30.5894(17) Å, β = 95.056(6)°, V = 998.50(11) Å3; for complex II, a = 5.9661(6) Å, b = 5.1414(4) Å, c = 32.672(2) Å, β = 92.395(6)°, V = 1001.33(14) Å3; and for complex III, a = 6.1404(3) Å, b = 5.3476(2) Å, c = 30.5865(12) Å, β = 94.708(4)°, V = 1000.96(7) Å3. The metal atoms (M) of the complexing agents are localized in the crystallographic symmetry centers and have a distorted octahedral environment due to two oxygen atoms of the carboxy groups of two monodentate ligands (L) and four water molecules. The M-O(1w)(H2O) and M-O(2w)(H2O) bond lengths for the indicated complexes are 2.088(3) and 2.118(3), 2.446(3) and 1.971(3), and 2.113(4) and 2.093(3) Å for M = Co2+, Cu2+, and Zn2+, respectively. The crystal structures are formed due to packing of chains built of inter-molecular hydrogen bonds O-H…O. 相似文献
10.
R. K. Askerov A. M. Maharramov V. K. Osmanov E. V. Baranov G. N. Borisova P. V. Dorovatovskii V. N. Khrustalev A. V. Borisov 《Journal of Structural Chemistry》2018,59(7):1658-1663
The molecular and crystal structures of 1-(4-fluorophenyl)-1,4-dihydro-1H-tetrazole-5-thione (I) and its complex with cadmium(II) (II) are studied by single crystal XRD. Free ligand I is thione; it has a nonplanar structure (the torsion angle between the tetrazole and benzene rings is 54.99(7)°) and forms H-bonded centrosymmetric dimers via two N–H…S hydrogen bonds in the crystal. The dimers contain a central planar eight-membered {S=C–N–H…S=C–N–H…} ring. Complex II has a chain structure with the composition [(C7H4N4FS)2Cd]n. The environment of the Cd(II) atom consists of two nitrogen atoms and two sulfur atoms from four ligands I and represents a distorted tetrahedron. When complex II forms, ligand I converts into the thiol form. Infinite 1D chains contain eight-membered {←S=C–N–Cd←S=C–N–Cd} rings in a chair conformation. The chains in the crystal are arranged in layers parallel to the (101) plane due to secondary intermolecular F…F and π–π-stacking interactions. 相似文献
11.
I. I. Zviedre S. V. Belyakov A. G. Tokmakov 《Russian Journal of Inorganic Chemistry》2008,53(2):275-284
4-Aminoquinolinium dicitratoborate monohydrate [(4-NH2)C9H6NH][(C6H6O7)2B] · H2O (I) has been synthesized for the first time. Single crystals have been studied by X-ray crystallography. The structural units of crystal I are large complex dicitratoborate anions with a spirane structure, 4-aminoquinolinium cations and crystal water molecules. The crystal packing of I is three-dimensional. Seventeen independent contacts O(N)-H?O and N-H?O,O’ form an intricate system of hydrogen bonds. 相似文献
12.
S. V. Larionov Z. A. Savel’eva R. F. Klevtsova E. M. Uskov L. A. Glinskaya S. A. Popov A. V. Tkachev 《Russian Journal of Coordination Chemistry》2011,37(1):1-7
The following chiral compounds were synthesized: [ZnLCl2] · EtOH (I) and ZnLCl2 (II), where L is the pyrazolin-5-ol derivative obtained from terpene (+)-3-carene. According to the X-ray diffraction data, the crystal structure of compound I is built of acentric molecules of the mononuclear ZnLCl2 complex and EtOH molecules. In molecules of the complex, the Zn2+ ion is coordinated by two N atoms of the bidentate chelating ligand L and two Cl atoms at the vertices of the distorted tetrahedron. The intermolecular contacts and the hydrogen bonds Cl(1)…H-O(1) between the adjacent ZnLCl2 molecules result in the formation of chains parallel to the y axis. The reactant L and solvate I possess weak photoluminescence in the visible spectral range. Complex II exhibits more intense photoluminescence at λmax = 416 and 517 nm. 相似文献
13.
Mohammad Hakimi Boris-Marko Kukovec Heidar Raissi Leila Pouyanmehr Fabian Mohr Esther Schuh 《Structural chemistry》2013,24(1):81-88
The symmetrical amino alcohol synthesis via ring opening of cyclohexene oxide with ethylendiamine is illustrated by synthesis and characterization of β-amino alcohols s-cis-(SSSS)-cy2en (1) and s-trans-(SSRR)-cy2en (2) (cy2en = N,N′-bis(2-hydroxycyclohexyl)ethane-1,2-diamine) in one step and with high yield. The reaction was carried out in a microwave reactor under solvent-free conditions. These products were characterized by IR and Raman spectroscopy, elemental analysis, thermal methods (TGA, DTG and DTA), mass spectrometry and 1H and 13C NMR spectroscopy. The crystal structures of 1 and 2 were determined by single crystal X-ray structural analysis, followed by DFT calculations. Intramolecular hydrogen bond was observed in 1 with C 2 symmetry, but not in 2 with C i symmetry. The nature of intramolecular hydrogen bond in 1 has been investigated by AIM and NBO analyses. The molecules in 1 are linked into an infinite chain along the [001] direction, giving rise to R 4 4 (8) graph-set motif, while the molecules in 2 are linked into a 2D network in the bc plane, giving rise to R 2 2 (10) and R 3 3 (12) motifs. The protonation equilibria of 1 and 2 have been studied by pH-potentiometry, with pK 1 9.01 and pK 2 5.50 determined for 1 and pK 1 8.58 and pK 2 5.26 determined for 2. 相似文献
14.
Two 4-phenylbenzophenones (I) and (II) are synthesized via Friedel-Crafts reactions. There are four crystallographically independent molecules with different conformations in the crystal structure of [1,1′-biphenyl]-4-yl(2-chlorophenyl)methanone (I). Crystals are orthorhombic, Pca21, C19H13ClO, a = 13.699(3) Å, b = 8.9385(17) Å, c = 46.836(9) Å; V = 5735(2) Å3, Z = 16, d x = 1.356 g/cm3. Torsion angles between the biphenyl rings are between 28.5° and 30.8°. Several C-H…O and C-H…Cl hydrogen bonds and weak π-π stacking contacts consolidate the crystal. Crystals of [1,1′-biphenyl]-4-yl(3-methoxyphenyl)methanone (II) are orthorhombic, Pbca, C20H16O2, a = 7.8179(15) Å, b = 16.003(3) Å, c = 23.345(5) Å; V = 2920.7(10) Å3, Z = 8, d x = 1.311 g/cm3. The torsion angle between the biphenyl rings is 28.1° and C-H…O hydrogen bonds are observed in compound (II). 相似文献
15.
K. K. Palkina A. N. Kochetov E. V. Savinkina L. Yu. Alikberova 《Russian Journal of Inorganic Chemistry》2006,51(11):1743-1749
An Ag(I) complex with HL (I), AgL (AgC23H15O3, II), has been synthesized. Compounds I and II have been studied by X-ray diffraction. The crystals are monoclinic, I: space group P21/n, a = 10.459(2) Å, b = 12.354(2) Å, c = 13.390(3) Å, β = 96.67(3)°, Z = 4; II: space group P21/c, a = 10.764(2) Å, b = 10.683(2) Å, c = 15.939(3) Å, β = 101.57(3)°, Z = 4. The structural units of the crystal of I are neutral molecules with intramolecular hydrogen bonds. In structure II, the Ag2O6 dimeric groups and the ligands form infinite openwork layers perpendicular to the x axis and containing cavities. The layers are penetrated by channels with an oblong cross section. In the crystal of II, all intermolecular distances exceed the sums of the van der Waals radii of the corresponding atoms. 相似文献
16.
Wen-Hua Zhang Ke Li Qi Li Thomas C. W. Mak 《Journal of inclusion phenomena and macrocyclic chemistry》2012,74(1-4):353-359
In the crystal structure of [(n-C4H9)4N]+·[NH2(C2N2S)NHCOO?]·NH2CSNC(NH2)2 (1), guanylthiourea molecules and 1,3,5-thiadiazole-5-amido-2-carbamate ions are joined together by intermolecular N–H…O, N–H…N, and weak N–H…S hydrogen bonds to generate stacked host layers corresponding to the (110) family of planes, between which the tetra-n-butylammonium guest cations are orderly arranged in a sandwich-like manner. In the crystal structure of [(n-C3H7)4N]+·[NH2(C2N2S)NHCOO?]·NH2CSNC(NH2)2·H2O (2), the tetrapropyl ammonium cations are stacked within channels each composed of hydrogen bonded ribbons of guanylthiourea molecules, 1,3,5-thiadiazole-5-amido-2-carbamate ions and water molecules. 相似文献
17.
Y. M. Li C. Y. Xiao Y. H. Xu S. B. Wang D. G. Yang 《Russian Journal of Coordination Chemistry》2013,39(3):293-296
Based on the organic ligand 2,4-diamine-6-phenyl-1,3,5-triazine (Phdat), two Ag(I) compounds, Ag(Phdat)2(NO3) (I) and Ag(Phdat)2(OAc) (II), have been synthesized and characterized by single crystal X-ray diffractions, elemental analyses, and IR spectra. Compounds I and II are mononuclear and binuclear structures, respectively, and with the help of N-H…O and N-H…N hydrogen bonds and π…π packing interactions, the 3D supramolecular networks are built up. 相似文献
18.
I. V. Taidakov A. N. Lobanov A. G. Vitukhnovskii Z. A. Starikova 《Russian Journal of Coordination Chemistry》2013,39(6):437-441
The reaction of Eu(NO3)3 · 6H2O with 1-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione (HL) in the presence of NaOH in aqueous ethanol gave neutral complex [EuL3(H2O)] (I). The unstable adduct [EuL3(H2O)] · 1.3MeCN (Ia) was obtained from an acetonitrile solution and studied by X-ray diffraction. The crystals of Ia at 100 K are monoclinic, a = 17.551(3) Å, b = 11.532(2) Å, c = 20.371(3) Å, β = 110.886(3)°, V = 3852(1) Å3, space group P21/c, Z = 4, R = 0.0505. The molecules are connected into chains by strong interactions between the europium atom of one molecule and the pyrazole N(2) atom of another molecule and additionally stabilized by strong hydrogen bonds O(1w)-H(1w1)…N(4)*. The chains are combined into layers by the hydrogen bonds (1w)-H(2w1)…N(2)*. 相似文献
19.
E. Melnic P. Bourosh A. Rija J. Lipkowski O. A. Bologa I. Bulhac E. Coropceanu V. N. Shafranski 《Russian Journal of Coordination Chemistry》2012,38(9):623-633
A number of new Co(III) dimethylglyoximates containing N-pyrimidinylsulfanilamides were obtained. These complexes of the general formula [Co(N3)(DH)2L] (I?CV) (where DH is the dimethylglyoxime monoanion and L are N-pyrimidinylsulfanilamides NH2-C6H4-SO2-NH-R with different substituents R) are expected to have antibacterial properties. Their structures were examined by IR, electronic absorption, and NMR spectroscopy and X-ray diffraction. They were classified among cobalt(III) trans dioximates. In all the complexes obtained, the cobalt atom coordinates to four N atoms of two dimethylglyoxime residues. The octahedral environment of the metal atom is completed with the amino N atom of the neutral molecule L and the N atom of the azide anion. In the crystal structures, complexes I?CV are united through intermolecular hydrogen bonds N-H??O, N-H??N, and O-H??O, in which the groups ?NH2 and =NH of the ligand L and water molecules (for I, IV, and V) serve as proton donors. 相似文献
20.
R. Jlassi W. Rekik H. Naïli T. Mhiri T. Bataille 《Journal of Structural Chemistry》2013,54(6):1122-1132
Two organic-inorganic hybrid compounds (C5H14N2)[Cd(H2O)6](SO4)2 (I) and R-(C5H14N2)×[Cd(H2O)6](SO4)2 (II) are synthesized by the slow evaporation method and characterized by single crystal X-ray diffraction, thermogravimetry, temperature-dependent X-ray diffraction, and infrared spectroscopy. The first compound crystallizes in the centrosymmetric space group P21/n with the following unit cell parameters: a = 6.6208(2) Å, b = 10.6963(3) Å, c = 12.9318(4) Å, V = 893.05(6) Å3, and Z = 2. Its structure is solved by direct methods and refined by the least-squares analysis [R 1 = 0.0389 and wR 2 = 0.0821]. This compound shows a crystallographic disorder II destroys the inversion symmetry and leads to a fully ordered structure. Indeed, compound II crystallizes in the non-centrosymmetric space group P21 with the following unit cell parameters: a = 6.6306(1) Å, b = 10.7059(2) Å, c = 12.9186(1) Å, V = 894.67(2) Å3, and Z = 2. The crystal structure of both compounds is built from isolated SO 4 2? anions, disordered 2-methylpiperazinediium, (C5H14N2)2+ in compound I or R-2-methylpiperazinediium R-(C5H14N2)2+ in compound II, and divalent metal cations surrounded by six water molecules. These different entities are connected together only by a 3D hydrogen bond network. The thermodiffractometry and the thermogravimetric analyses indicate that the decomposition of the supramolecular precursors proceeds through several stages leading to cadmuim oxide. 相似文献