共查询到20条相似文献,搜索用时 15 毫秒
1.
Guang Yang 《Journal of chemical crystallography》2004,34(4):269-274
The synthesis of a cobalt(II) complex of tris(1-pyrazolylmethyl)amine (amtp) is reported. The complex [Co(amtp)Cl](BPh4) crystallizes in the space group P-1, with a = 8.979(2), b = 19.329(3), c = 20.251(3) Å, = 93.321(2), = 93.685(3), = 98.930(2)°, and Z = 4. The Co(II) atom is nearly tetrahedrally coordinated by three pyrazole N-atoms and one Cl–. The tertiary amine N-atom of amtp is only weakly coordinated to Co(II) atom at a Co—N(amine) distance of ca 2.40 Å. 相似文献
2.
The ligand tris(1-propan-2-onyl oxime)amine (TRISOXH3) binds to zinc(II) acetate as a tridentate N3 donor, with a third oxime group remaining unbound and extending into the crystal lattice. The crystal structure shows a distorted trigonal bipyramidal geometry around the zinc center. An intramolecular hydrogen bonding interaction between a coordinated oxime donor and an oxygen of a bound acetate is observed. This structure is similar to that of a previously reported zinc(II) complex of a related bis(oxime)amine ligand. However, the structure of Zn(TRISOXH3)(OAc)2 is different in ligand coordination mode and metal coordination number from those of the previously reported complexes Ni(TRISOXH3)Cl2 or [Ni(TRISOXH3)(NO3)(H2O)]NO3. 相似文献
3.
Bryte V. Kelly Joseph M. Tanski Mary Beth Anzovino Gerard Parkin 《Journal of chemical crystallography》2005,35(12):969-981
The molecular structures of N(o-C6H4OH)3, PhN(o-C6H4OH)2, andp-TolN(o-C6H4OMe)2 have been determined by X-ray diffraction, thereby indicating several structural differences. For example, whereas the nitrogen
in N(o-C6H4OH)3 is pyramidal with ΣC–N–C = 348.3∘, the nitrogen atoms in PhN(o-C6H4OH)2 andp-TolN(o-C6H4OMe)2 are trigonal planar with ΣC–N–C = 359.9∘ and ΣC–N–C = 360.0∘, respectively. The phenyl andp-tolyl groups of PhN(o-C6H4OH)2 andp-TolN(o-C6H4OMe)2 lie close to the trigonal plane, while theo-C6H4OH ando-C6H4OMe groups are almost orthogonal to this plane. The coplanar and orthogonal orientations of the aryl groups of PhN(o-C6H4OH)2 andp-TolN(o-C6H4OMe)2 are in marked contrast to those of the phenyl groups within Ph3N, which exhibit dihedral angles in the range 38–52∘ and approximateD3 symmetry. The observed structures of PhN(o-C6H4OH)2 andp-TolN(o-C6H4OMe)2 may be rationalized in terms of maximizing delocalization of the nitrogen lone pair into the phenyl andp-tolyl groups, while minimizing unfavorable overlap with theo-C6H4OH ando-C6H4OMe groups due to the presence of π-donatingortho-substituents; the orthogonal orientation of theo-C6H4OH ando-C6H4OMe groups is also one that minimizes unfavorable steric interactions between theortho-substituents. 相似文献
4.
A new salt (EV)2[Cu(mnt)2] [EV = tris(p-(diethylamino)phenyl)methylium; mnt = bis(1,2-dicyanovinylene-1,2-dithiolato)] was prepared by the reaction of [NBu4]2[Cu(mnt)2] with ethyl violet dye (EV)Cl. The crystallographic data are: triclinic P–1, a = 11.1102(11) Å, b= 12.2768(12) Å, c = 14.0265(14) Å, = 98.987(2)°, = 97.972(2)°, = 110.402(2)°, V = 1732.2(3) Å3, Z = 1. The [Cu(mnt)2] dianion exhibits a quasi-square planar structure and the EV cation has a trigonal planar geometry with an A symmetric propeller-like conformation. A pseudo-dimmer of the EV cation and weak hydrogen bonds between the cation and the anion were observed in the crystal. 相似文献
5.
M. D. Miranda F. Vaca Chávez T.M.R. Maria M. E. S. Eusébio P.J. Sebastião P. Martín-Ramos 《Molecular Crystals and Liquid Crystals》2016,630(1):87-101
A molecular recognition process has been used to form new mesogenic molecular structures, where intermolecular hydrogen bonding occurs between 4-(octyloxy)benzoic acid (8BAO) and four 4-alkylbenzoic acids (nBAs, n = 2, 5, 6, 7). The synthesis of these complexes has been attained by resorting to mechanochemistry. The resulting materials have been characterized by polarizing optical thermal microscopy, differential scanning calorimetry, vibrational spectroscopy, X-ray powder diffraction, and 1H NMR relaxometry. All the elements of the series show the formation of a mesophase. For one of the complexes, its electro-optical properties have also been assessed, resulting comparable to those of other widely used liquid crystals. 相似文献
6.
Ki-Young Choi Haiil Ryu Nack-Do Sung Mancheol Suh 《Journal of chemical crystallography》2003,33(12):947-950
The mono(dpa)copper(II) complex [Cu(dpa)Cl2] (1) (dpa = di-(2-picolyl)amine) has been synthesized and structurally characterized. It crystallizes in the monoclinic system P21/n with a = 8.155(1), b = 12.560(1), c = 12.817(2) Å, = 91.64(2)°, V = 1312.3(2) Å3, Z = 4. The copper atom is coordinated by three nitrogen atoms from the dpa ligand and two chlorides in a distorted square-pyramidal environment. Cyclic voltammetric data show that 1 undergoes the reversible one-electron oxidation to the Cu(III) and the reversible one-electron reduction to the Cu(I) state. 相似文献
7.
Jesús Valdés-Martínez Simon Hernández-Ortega Douglas X. West Amy M. Stark Gordon A. Bain 《Journal of chemical crystallography》1996,26(12):861-864
2-Benzoylpyridine N4-methyl-N4-phenylthiosemicarbazone, HBz4MePh, monoclinic,P2(1)/n a=9.141(2),b=18.507(4),c=11.401(2) Å, =110.58(3)o,V=1805.6(9) Å3,Z=4, =1.655 mm–1. HBz4MePh crystallizes in a hydrogen bonded Z isomeric conformation with respect to the C7–N2 bond. The intramolecular hydrogen bond is between N3–H...N1, and the S atom isZ to the azomethine nitrogne, N2. 相似文献
8.
Omer Andac Yildiray Topcu Veysel T. Yilmaz William T.A. Harrison 《Journal of chemical crystallography》2000,30(12):767-771
The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)2(C2H7NO)2], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = 8.9103(4), c = 11.3890(5) Å, = 105.0230(10)°, Z = 2, and space group P21/c
. The structure consists of individual molecules. Two monoethanolamine molecules and two saccharinate anions coordinate the nickel atom forming a distorted octahedron. The monoethanolamine molecules act as a bidentate ligand and form five-membered trans chelate rings, which constitute the plane of the coordination octahedron, while two saccharinate ions behave as a monodentate ligand occupying the axial positions. Intermolecular hydrogen bonds link the molecules to form a three-dimensional infinite structure. 相似文献
9.
Abstract These complexes have been characterized by X-ray crystallography, spectroscopic, and cyclic voltammetry. In 1, the copper(II) ion has a distorted square-pyramidal geometry with three nitrogen atoms of the dpa ligand and two oxygen
atoms of the nitrate anions. The crystal structure of 2 shows that the copper(II) ions are bridged by tp anion to form a dinuclear complex, in which each copper(II) ion exhibits
a distorted square-pyramid with three nitrogen atoms of the dpa ligand, water molecule, and the oxygen atom of the bridging
tp ligand. Cyclic voltammetric data indicate that 1 undergoes irreversible one-electron oxidation to the CuIII and reversible one-electron reduction to the CuI, while 2 gives one reversible oxidation and two reversible and irreversible reduced processes. The electronic spectra and redox potentials
of the complexes are influenced significantly by the anionic ligands.
Graphical Abstract The reaction of [Cu(dpa)Cl2] with K(NO3)2 and Na2tp yields mononuclear and dinuclear copper(II) complexes [Cu(dpa)(NO3)2] (1) and [Cu2(dpa)2(H2O)2(μ-tp)](tp)·6H2O (2) (dpa = di-(2-picolyl)amine, tp = terephthalate).
相似文献
10.
Rahul Bhattacharya Sumana Chanda Gabriele Bocelli Andrea Cantoni Ashutosh Ghosh 《Journal of chemical crystallography》2004,34(6):393-400
The crystal structures of 2-methylbenzimidazolium tetrahalocuprates (H2-mebz)2[CuX4] (X = Cl and Br) have been detemined. The chloride salt is monoclinic, P21/c, with a = 8.540(2) Å, b = 16.591(2) Å, c = 14.303(3) Å, and = 98.69(2)°. The bromide salt is also monoclinic, P21/c, with a = 8.316(3) Å, b = 17.436(3) Å, c = 14.747(3) Å, and = 98.82(3)°. Both the compounds contain discrete distorted tetrahedral CuX4
2– anions and almost planar 2-methylbenzimidazolium cations. In the chloride salt, three chloride ions are involved in hydrogen bonding instead of two bromide ions in the bromide salt. 相似文献
11.
Abstract Proton transfer occurred during co-crystallization of 1,2-(4-pyridyl)ethane with 2-(4-hydroxyphenylazo)benzoic acid to yield
a salt comprising a 1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions. Centrosymmetrically
related anions associate by charge-assisted O–H···O hydrogen bonds to form 24-membered {···OC3N2C4OH}2 synthons. These are connected into a supramolecular polymer via charge-assisted N–H···O hydrogen bonds involving the 1,2-bis(4-pyridinium)ethane
dications. The compound crystallizes in the triclinic space group P−1 with a = 8.517(4) ?, b = 9.110(5) ?, c = 10.477(5) ?, α = 96.850(13)°, β = 94.446(12)°, γ = 104.946(10)° and Z = 1 {two anions and a dication}.
Index Abstract Supramolecular chains mediated by charge-assisted O–H···O and N–H···O hydrogen bonding are found in the salt containing a
1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions.
相似文献
12.
Graham Smith Daniel E. Lynch Karl A. Byriel Colin H. L. Kennard 《Journal of chemical crystallography》1997,27(5):307-317
A number of molecular adducts of 4-aminobenzoic acid (4-ABA) have been prepared and characterized using infrared spectroscopy
and in three cases by X-ray diffration methods. These three compounds are with 4-nitroaniline [(4-ABA) (C6H6N2O2)], 4-(4-nitrobenzyl) pyridine, [(4-ABA)2(C12H10N2O2)4], and (4-nitrophenyl)acetic acid, [(4-ABA) (C8H7NO4)]. Other compounds described are with 4-chlorobenzoic acid, [(4-ABA) (C7H5ClO2)], 4-bromobenzoic acid, [(4-ABA) (C7H5BrO2)], 4-cyanobenzoic acid, [(4-ABA) (C7H6N2)], 2-nitrobenzoic acid, [(4-ABA) (C7H5NO4)], and 3-nitrobenzoic acid, [(4-ABA) (C7H5NO4)]. All compounds have 1:1 stoichiometry except that with 4-(4-nitrobenzyl)pyridine (1:2) which is unique in being retro-stoichiometric.
A review of the systematics of the 4-aminobenzoic acid adducts is also made, particularly with respect to the infrared characterization
of the cocrystalline materials and prediction of their NLO potential. 相似文献
13.
R. Ramasubramanian S. Kumaresan R. Thomas A. David Stephen P. Kumaradhas 《Crystal Research and Technology》2007,42(10):1024-1028
Pyridine‐2‐(3′‐mercaptopropanoic acid)‐N ‐oxide (I), is a higher homologue of 1‐oxopyridinium‐2‐thioacetic acid (II) [1]. It crystallizes in monoclinic space group P21 with a = 9.2168(2) Å, b = 4.1423(2) Å, c = 11.3904(4) Å, β = 98.65(2)°, V = 429.93(3) Å3 and Z = 2. The least‐squares refinement gave residual index R = 0.024 for 1070 observed reflections. The introduction of an additional methylene group in (II) causes a flip in the carboxylic acid group of (I) that facilitates the molecules to align infinite antiparallel chains through strong C–H···O interactions. The molecules are interlinked by O–H···O hydrogen bonding across the chains and forming an infinite screw chain along y‐direction. The molecular packing is stabilized by O–H···O and C–H···O hydrogen bonding and π‐π electron interactions. This is an important facet of the crystal packing. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
14.
Sahar Al-Fayez Laila H. Abdel-Rahman Ahsan M. Shemsi Zaki S. Seddigi Mohammed Fettouhi 《Journal of chemical crystallography》2007,37(8):517-521
The two new complexes bromo(1,10-phenanthroline-N,N′)tris(2-cyanoethyl)phosphinocopper(I) and bromo(2,2′-bipyridine-N,N′)tris(2-cyanoethyl)phosphinocopper(I) were synthesized and their X-ray crystal structures were determined. The first complex
crystallizes in the triclinic space group P-1 with the crystal cell parameters a = 7.7596(7) ?, b = 11.470(1) ?, c = 12.803(1) ?, α = 78.884(1)°, β = 79.759(1)°, γ = 86.867(1)°, V = 1100.0(2) ?3 and Z = 2. The second complex crystallizes in the orthorhombic space group Pbca with the crystal cell parameters a = 10.614(1) ?, b = 12.345(1) ?, c = 31.903(3) ?, V = 4180.3(7) ?3 and Z = 8. In both compounds, the copper(I) ion is four-coordinate with a distorted tetrahedral geometry. In the 1,10-phenanthroline
complex, an intermolecular dipole–dipole interaction between two cyano groups stabilizes an unfavorable synclinal conformation
of one cyanoethyl group of the phosphine ligand. 相似文献
15.
A new type of dicesium disulfur trisulfate, Cs2S2(SO4)3, crystal has been crystallized. Differential scanning calorimetry (DSC) and X‐ray diffraction measurements have been performed on this compound. The crystal does not reveal any structural phase transition in the temperature range from 120 to 920 K. The compound belongs to a cubic system with space group P213 at room temperature. It is found that both Cs and S atoms located on special positions are 93% occupied and 7% in exchange with each other. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
16.
17.
E. B. Seena B. N. Bessy Raj M. R. Prathapachandra Kurup E. Suresh 《Journal of chemical crystallography》2006,36(3):189-193
The crystal structure of 2-hydroxyacetophenone N(4)-cyclohexyl thiosemicarbazone is described. The compound crystallizes in the triclinic crystal system, space group , Z = 4, V = 1569.6(3) ?3 with unit cell parameters a = 6.9436(8) ?, b = 12.4762(15) ?, c = 18.588(2) ?, α = 100.187(2)°, β = 97.069(2)° and γ = 92.340(2)°. There are two independent molecules in the asymmetric unit. The crystal structure reveals that the compound exists in the thione form and S1 and N1 are at E configuration to each other with respect to N2-C8 bond. Similarly, S2 and N4 are trans to each other with respect to N5-C23 bond in the second molecule of the asymmetric unit. The packing of the molecules in the crystal lattice is stabilized by intermolecular hydrogen bonds. 相似文献
18.
Intramolecular hydrogen bonding in the solid state is reported for the title compound and its ethylene ketal. The title compound crystallizes in the triclinic space group,
with a = 9.590(3), b = 9.620(3), c = 9.844(2) Å, = 97.67(2), = 105.25(2), = 115.47(2), and Z=2. The ethylene ketal crystallizes in the monoclinic space group, P21/c, with a = 7.230(2), b = 22.639(3), c = 10.839(2) Å, = 101.47(2), and Z = 4. The intramolecular hydrogen bond length of 1.79 Å is the same for the ketone and ketal, but the O—H---O valence angle is 144° for the ketone and 165° for the ketal. 相似文献
19.
20.
Tam T.B. Ha Anne Marie Larsonneur-Galibert Paule Castan Joel Jaud 《Journal of chemical crystallography》1999,29(5):565-569
The compound [(C5H2N2O4)Cu(H2O)2]n has been synthesized and its structure determined at room temperature. The primary coordination sphere at the Cu ion is square planar with the orotate dianion coordinating at the metal through heterocyclic nitrogen atom and adjacent oxygen of the carboxylate group, the remaining coordination sites are occupied by two water molecules. The orotate dianion is tricoordinated to one copper via N1 and one oxygen of the carboxylato group and to another copper atom via the other oxygen of the carboxylato group. The coordination at copper is extended to five by the other oxygen of the carboxylate group of another orotate molecule. Thus, the molecules are associated to form chains, the carboxylato group acting as a bridge between the metal ions, the orotato-group being tridentate. The title compound crystallizes in the monoclinic space group. P21/n1 with a = 9.515(5), b = 6.925(2), c = 11.861(6) Å, = 95.285(9)°, D
calc = 2.17 g cm–3, and z = 4. 相似文献