共查询到20条相似文献,搜索用时 31 毫秒
1.
Annamalai Subashini Madhukar Hemamalini P. Thomas Muthiah Gabriele Bocelli Andrea Cantoni 《Journal of chemical crystallography》2009,39(2):112-116
Abstract The structure of the title compound (C17H15N3O4S)2 the schiff base, bis(N-(5-methyl-3-isoxazolyl)-4-[(2-hydroxy benzylidene)-amino]) benzene sulfonamide was elucidated by H1, C13 NMR, UV–VIS and IR spectroscopic techniques. The X-ray structure was determined in order to establish the conformation of
the molecule. The compound crystallizes in the triclinic space group P-1, with a = 11.419(1), b = 11.426(0), c = 13.316(1) ?, α = 71.94(2), β = 89.79(1), γ = 89.14(2)° and Z = 4. Two benzene rings and azomethine group are practically coplanar, as a result of intramolecular hydrogen bonds involving
the hydroxy O atom and azomethine N atom. The component species further interact via N–H···N and C–H···O hydrogen bonds and
π–π stacking interactions.
Index Abstract The title compound (C17H15N3O4S)2, Schiff base, bis(N-(5-methyl-3-isoxazolyl)-4-[(2-hydroxy benzylidene)-amino]) benzene sulfonamide was synthesized by the condensation of 4-amino-N-(5-methyl-3-isoxazolyl) benzene sulfonamide (SMZ) and 2-hydroxy benzaldehyde (SA). Its structure was confirmed by single
crystal X-ray diffraction analysis.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
2.
Abstract Cu(urea)2(H2O)3(NO3).(urea)(NO3) (1) and Zn(urea)4(H2O)2·2(NO3) (2) have been obtained from the corresponding metal nitrates and urea in warm aqueous solvent. These are unusual examples of
complexes of transition metals coordinated only by urea and water. 1 crystallizes in the monoclinic space group P21/m with unit cell parameters a = 9.489(3), b = 13.059(3), c = 7.103(2) ? and β = 100.28(3)°. The copper ion occupies a 2e position on a mirror plane and displays four short Cu–O bonds (2 × Cu–OH2 and 2 × Cu–O=C(NH2)2) and two much longer contacts (Cu–OH2 and Cu–ONO2) consistent with a Jahn–Teller distortion. Between the cations are located unbound urea and nitrate. 2 crystallizes in the monoclinic space group P21/n with a = 6.4239(11), b = 17.690(4), c = 7.5877(13) ? and β = 91.138(14)°. The zinc ion resides on the 2a position, an inversion centre, and displays pseudo–octahedral coordination geometry. It is coordinated by four equatorial
urea and two axial water molecules. The four molecules of urea are nearly planar and form N–H···O intramolecular hydrogen
bonds. Unbound charge-balancing nitrate is also present. In each compound there is extensive intermolecular hydrogen bonding
between the water, urea, and nitrate present. Pyrolysis of the compounds under 10% hydrogen in nitrogen at 300 °C was found
to yield metallic copper in the case of 1 and zinc oxide for 2.
Graphical Abstract The structures of two new metal urea nitrates have been determined at low temperature
相似文献
3.
John J. Allen Christopher E. Hamilton Andrew R. Barron 《Journal of chemical crystallography》2010,40(2):137-144
Abstract
The molecular structure of (2,6-iPr2C6H3)N(quin)2 (1) and both the methanol and toluene solvates of its copper complex [Cu{(2,6-iPr2C6H3)N(quin)2}2]BF4, 2·MeOH and 2.2(C6H5Me), respectively, have been determined. The quinolyl rings in 1 adopt anti-syn (CAr–N–C–Nquin) conformation as a result of π–π stacking. The cation in 2·MeOH crystallizes on a C2 axis, while the cation in 2·2(C6H5Me) is crystallographically independent. As a result of intramolecular π–π stacking there are significant changes within the coordination geometry about the copper centers between the two solvates, suggesting that the coordination around copper is supple. Crystal data: 1 group P21/c, a = 8.614(1), b = 16.137(3), c = 17.601(4) ?, β = 93.32(3)°, V = 2,442.5(9) ?3, Z = 4, R = 0.0544, wR 2 = 0.1340. 2·MeOH group P3221, a = 13.254(1), b = 13.254(1), c = 27.214(5) ?, V = 4,140(1) ?3, Z = 3, R = 0.0392, wR 2 = 0.0917. 2.2(C6H5Me) group P1, a = 11.677(2), b = 16.261(3), c = 17.077(3) ?, α = 93.63(3), β = 97.30(3), γ = 96.26(3)°, V = 3,187(1) ?3, Z = 4, R = 0.0526, wR 2 = 0.1221. 相似文献4.
Abstract The synthesis, characterization, and molecular structure of the title compound, [(1-benzylpyrazole)[N,N-bis(2-aminoethyl)-1,2-ethanediamine]copper(II)] diperchlorate, [(nbp)(tren)Cu(II)](ClO4)2, 2 · 2ClO4, is reported. The salt crystallized in the monoclinic space group P21/n with a = 10.1453(5) ?, b = 17.5250(8) ?, c = 13.6021(6) ?, β = 100.737(19)° and V = 2376.06(19) ?3 with Z = 4. The structure contains copper(II) (nbp)(tren) cations, each with a distorted-trigonal-bipyramidal CuN5 coordination geometry, separated by perchlorate anions. The cations exhibit steric strain associated primarily with close
contacts between the methylene protons of the nbp ligand and one of the amine groups of the tren ligand. The strain has a
noticeable effect on the coordination geometry and certain physical properties of the complex.
Graphical Abstract In the title structure, steric strain in the (nbp)(tren)Cu(II) cations, associated with close contacts between protons of
the nbp ligand and two of the amine groups of the tren ligand (dashed lines in the figure below) affects certain physical
properties of the cation and is consistent with an anomalously long Cu(II)–N(pyrazole) distance (Cu–N41) and an unusually
large axial–equatorial angle, N41–Cu–N12.
相似文献
5.
Zahid H. Chohan Hazoor A. Shad Loic Toupet Taibi Ben Hadda Mehmet Akkurt 《Journal of chemical crystallography》2011,41(2):159-162
Abstract
The title compound (3), C17H14BrN3O4S, is a Schiff base compound of 5-bromosalicylaldehyde (1) and sulfamethoxazole (2). The structure of (3) was determined by spectral (IR, 1H and 13C NMR), elemental analyses and X-ray diffraction data. Compound (3) crystallizes in the monoclinic space group C2/c, with a = 31.936(3), b = 6.2571(5), c = 16.903(1) ?, β = 94.867(8), V = 3365.5(5) ?3, Z = 8. In the molecule of compound (3), the molecule is bent at the S atom with a C–SO2–NH–C torsion angle of −86.3(3)°. Pairs of molecules, related by inversion centres, form intermolecular N–H···N hydrogen bonds to produce a dimer. An intramolecular phenolic O–H···N hydrogen bond is also formed. Intermolecular hydrogen bonding and π–π stacking hold the molecules together. The average distance between stacked benzene ring planes is 3.625(2) ?. 相似文献6.
Arzu Özek Çiğdem Albayrak Mustafa Odabaşoğlu Orhan Büyükgüngör 《Journal of chemical crystallography》2009,39(5):353-357
Abstract The crystal structure of C14H12ClNO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) ?, b = 4.5101(3) ?, c = 12.0534(11) ?, α = 90.00o, β = 113.669(6)o, γ = 90.00o, Z = 2, Dx = 1.393 mg/m3, μ (MoKα) = 0.298 mm−1. The title compound is photochromic and molecule is non-planar. It adopts a phenol–imine tautomeric form with a strong intramolecular
O–H···N hydrogen bond and a strong intermolecular C–H···O hydrogen bond. Minimum energy conformations AM1 were calculated
as a function of the three torsion angles θ1(C10–C9–N1–C8), θ2(C9–N1–C8–C1) and θ3(N1–C8–C1–C6), varied every 10°. As in the X-ray experiment results, molecule has an angle that makes it non-planar between
two aromatic rings in AM1 optimized geometry.
Graphical Abstract Molecular and crystal structure of [(E)-2-[(3-chlorophenylimino)methy])-4-methoxyphenol], C14H12ClNO2, have been determined by single crystal X-ray diffraction study, and conformational analysis of the title molecule with respect
to the selected torsion angle has been achieved by AM1 semi-empirical calculations.
相似文献
7.
Fernando Rascón-Cruz Sandra González-Gallardo Miguel A. Muñoz-Hernández Rubén A. Toscano Verónica García-Montalvo 《Journal of chemical crystallography》2009,39(7):530-534
Abstract Synthesis and X-ray structural determination of three phosphorus compounds are reported. (3b) is monoclinic P2(1)/c with a = 11.852(1), b = 12.825(1), c = 12.445(1) ?, β = 103.693(1)o; (4a) and (4b) are monoclinic P2(1)/n with a = 12.1422(16), b = 9.0860(12), c = 14.845(2) ?, β = 96.498(3)o for (4a), and a = 12.2714(16), b = 9.2812(12), c = 14.800(2) ?, β = 97.176(2)o for (4b). They all exhibit distorted tetrahedral geometry about the P atom. Ph2P(X)NHC7H7 (X=S (4a) and X=Se (4b)) show typical P–S and P–Se double bond distances and P–N single bonds, while P–S bond in 1-Ad2P(S)Cl (3b) is comparable to P–S single bonded probably due to the largeness of 1-adamantyl groups.
Graphical Abstract Synthesis and X-ray structural determination of 1-Ad2P(S)Cl (3b), Ph2P(S)NHC7H7 (4a) and Ph2P(Se)NHC7H7 (4b) are reported.
相似文献
8.
Abstract
The unusual (1:1) complex ‘adduct’ salt of copper(II) with 4,5-dichlorophthalic acid (H2DCPA), having formula [Cu(H2O)4(C8H3Cl2O4) (C8H4Cl2O4)]·(C8H3Cl2O4) has been synthesized and characterized using single-crystal X-ray diffraction. Crystals are monoclinic, space group P21/c, with Z = 4 in a cell with dimensions a = 20.1376(7), b = 12.8408(4) c = 12.1910(4) Å, β = 105.509(4)°. The complex is based on discrete tetragonally distorted octahedral [CuO6] coordination centres with the four water ligands occupying the square planar sites [Cu–O, 1.962(4)–1.987(4) Å] and the monodentate carboxyl-O donors of two DCPA ligand species in the axial sites. The first of these bonds [Cu–O, 2.341(4) Å] is with an oxygen of a HDCPA monoanion, the second with an oxygen of a H2DCPA acid species [Cu–O, 2.418(4) Å]. The un-coordinated ‘adduct’ molecule is a HDCPA counter anion which is strongly hydrogen-bonded to the coordinated H2DCPA ligand [O···O, 2.503(6) Å] while a number of peripheral intra- and intermolecular hydrogen-bonding interactions give a two-dimensional network structure. 相似文献9.
Jerry P. Jasinski Ray J. Butcher Anil N. Mayekar H. S. Yathirajan B. Narayana B. K. Sarojini 《Journal of chemical crystallography》2009,39(10):761-765
Abstract The title compound, C18H18BrN3O3S, a derivative of 1,3,4-oxadiazole, crystallizes in the triclinic space group P-1 with unit cell parameters a = 6.8731(3), b = 8.9994(4), c = 15.7099(6) ?, α = 92.779(3)°, β = 130.575(3)°, γ = 107.868(4)°, Z = 2. The dihedral angle between the mean planes of the planar naphthyl and morpholine (chair) rings with the planar oxadiazol
ring is 50.1(8) and 76.8(6)°, respectively. The planar naphthyl ring is twisted 52.2(5)° with the mean plane of the morpholine
ring. A group of four intermolecular close contacts are observed between a bromine atom and hydrogen atoms from the closely
packed naphthyl, morpholine and oxy–methyl groups in the unit cell. These molecular interactions in concert with an additional
series of π–π stacking interactions that occur between the center of gravity of the two 6-membered rings of the naphthalene
group influence the twist angles of each of these three groups. A MOPAC AM1 calculation of the conformation energy of the
crystal structure [226.0128(9) kcal] compared to that of the minimum energy structure after geometry optimization [29.9744(1) kcal]
reveals a significantly reduced value. The twist angles of the three groups above also change after the AM1 calculation giving
support to the influence of both intermolecular C–H···Br short-range interactions and Cg π–π stacking interactions on these
angles which therefore play a role in stabilizing crystal packing.
Graphical Abstract Crystal structure of 5-{[(6-bromonaphthalen-2-yl)oxy]methyl}-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione, C18H18BrN3O3S, is reported and its geometric and packing parameters described and compared to a MOPAC computational calculation.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
10.
Jacob E. Kuperstock Amanda N. Ley Robert D. Pike 《Journal of chemical crystallography》2009,39(2):131-137
Abstract The formation from aqueous solution of networks containing piperazinium hydrochlorides with copper(I) chloride is described.
Four new X-ray crystal structures are reported: (H2Pip)[Cu2Cl4] (two isomeric phases: 1A and 1B), (H2MePip)[Cu3Cl5] (2), and (H2Me2Pip)[Cu4Cl6] (3) (Pip = piperazine, MePip = N-methylpiperazine, Me2Pip = N,N′-dimethylpiperazine. In 1A (P-1, a = 6.3141(2), b = 6.8248(2), c = 6.9067(2), α = 90.707(2), β = 110.748(2), γ = 110.799(2), V = 256.918(13), Z = 2) corner-sharing Cu2Cl2 rhomboid dimers form infinite chains running parallel to the a-axis. In 1B (Pbcn, a = 9.9442(6), b = 8.0622(5), c = 13.1301(7), V = 1052.67(11), Z = 8) the Cu2Cl2 dimers are linked by μ-Cl into Cu6Cl8 rings which form hexagonally tiled sheets running parallel to the a,b-plane. In 2 (P-1, a = 8.0815(7), b = 9.6584(9), c = 9.7900(8), α = 70.231(4), β = 77.180(4), γ = 70.587(4), V = 673.05(10), Z = 2) alternating Cu3Cl3 and Cu4Cl4 rings are fused to form ribbons that run parallel to the a-axis. Copper-copper interactions are present. In 3 (C2/c, a = 17.4026(6), b = 10.5295(4), c = 11.7501(8), β = 131.5490(10), V = 1611.35(14), Z = 8) relatively long Cu···Cl interactions connect Cu4Cl6 “adamantane” units into chains running parallel to the c-axis. In all cases the piperazinium ions are independent from the chlorocuprate structures, but they do show N–H···Cl interactions.
Index Abstract The synthesis and network structures of four piperazinium hydrochlorides with copper(I) chloride are presented.
相似文献
11.
Geremia Jennings Mark D. Smith Shan-Ming Kuang L. Mark Hodges John Tyrell R. Thomas Williamson Pamela Seaton 《Journal of chemical crystallography》2012,42(2):159-164
Abstract
Chalcones, 1,3-diphenyl-2-propene-1-ones, exist naturally and synthetically, and are characterized by the linkage of two aromatic rings joining a three carbon α-β-unsaturated carbonyl entity. We report the observation of two new polymorphs of a hydroxy chalcone, C6H5–CO–CH=CH–C6H4 (m-OH), identified as a result of a Claisen–Schmidt synthesis and manual screening technique. One polymorph of this compound has been reported previously and exists in the monoclinic system, space group P2/n, with unit cell parameters a = 13.295(6) ?, b = 5.659(2) ?, c = 16.144(8) ?, β = 109.73(5)°, V = 1143.3(9) ?3, and Z = 4. Two crystalline forms (II and III) reported herein, are polymorphs of the reported monoclinic form (I). Form II exists in the orthorhombic system, space group Pca21, with unit cell constants a = 11.631 (2) ?, b = 13.163 (3) ?, c = 7.3977 (14) ?, V = 1132.6 (4) ?3, and Z = 4. Form III also crystallizes in the orthorhombic system, however in space group Pbca, with unit cell parameters a = 11.8100(8) ?, b = 7.4075(5) ?, c = 25.8729(19) ?, V = 2263.4(3) ?3, and Z = 8. Variations in the hydrogen bonding connectivity help to distinguish these two forms from the monoclinic, whereas crystal packing differentiates the two orthorhombic forms. The conformation of the C=C (C2–C3) is E for both orthorhombic forms. 相似文献12.
Shi-Qiang Liu Bin Quan Hong-Ru Dong Heng-Shan Dong 《Journal of chemical crystallography》2009,39(2):87-90
Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3
was synthesized from 1-aminonaphthalene. The yielded product 3 was investigated
with X-ray crystallographic, NMR, MS and IR techniques. Compound 3,
C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4)
?, V = 2500.1(8) ?3, Z = 8, Dx = 1.346 Mgm-3. The final R was
0.0474. The molecular packing is stabilized by intermolecular O–H···N interactions.
Index Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3 was synthesized from 1-aminonaphthalene. The yielded product 3
was investigated with X-ray crystallographic, NMR, MS and IR techniques. Compound 3, C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4) ?,
α = β = γ = 90.00o. V = 2,500.1(8) ?3, Z = 8, Dx = 1.346 Mgm−3. The final R was 0.0474. The molecular packing is stabilized by
intermolecular O–H···N interactions.
相似文献
13.
Krištof Kranjc Amadej Juranovič Marijan Kočevar Franc Perdih 《Journal of chemical crystallography》2012,42(5):443-449
Abstract
The compounds methyl 3-(benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate (1), C15H13NO5, and N-[5-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-2H-pyran-3-yl]benzamide (2), C21H19NO5, crystallize as a centrosymmetric hydrogen-bonded dimer facilitated by N–H···O interactions involving the amide and carbonyl moiety of the lactone group of adjacent molecules. Supramolecular aggregation in 1 is controlled by a combination of π–π interactions [centroid–centroid distance = 4.0745(11) ?] and weak C–H···O hydrogen bonding between the phenyl ring of the benzoylamino group and the carbonyl atom of the methoxycarbonyl group and in 2 by a combination of π–π interactions [centroid–centroid distance = 4.0699(8) and 4.1556(10) ?], weak C–H···O interactions between the methoxy substituents of the adjacent dimethoxyphenyl group and weak C–H··· π interactions. 相似文献14.
Amitabha Datta Nien-Tsu Chuang Jui-Hsien Huang 《Journal of chemical crystallography》2011,41(11):1780-1784
Abstract
The nickel(II) complex Ni[C5H4N–C(CH3)=N–N=C(O)–C6H5]2 (1), containing the potentially tridentate Schiff base like hydrazone ligand (LH) which is the 1:1 condensation product of benzhydrazide and 2-acetylpyridine, was prepared and characterized by IR and UV–Vis spectra, thermal analysis and single crystal X-ray diffraction measurements. Structural investigation shows that the molecule prefers a monoclinic lattice, having space group Cc, a = 10.248(6), b = 19.692(11), c = 12.281(7) ?, β = 91.523(10)o, Z = 4. The central Ni atom is in N4O2 coordination sphere developed with the NNO donor sets of the two independently Schiff base like hydrazone ligands with the two Ni–N(pyridine) bonds being significantly longer than the two Ni–N(imino) bonds, 2.096(6), 2.105(6) versus 1.972(6), 2.008(6) ?. The two Ni(II) amide-O bond distances of the chelating ligands are 2.090(6) and 2.092(6) ? respectively. 相似文献15.
Jerry P. Jasinski M. K. Bharty N. K. Singh S. K. Kushwaha Ray J. Butcher 《Journal of chemical crystallography》2011,41(1):6-11
Abstract
The title compounds C7H8ClN3O2S, (I), and C9H10ClN3O4S2, (II), both crystallize in monoclinic space group P21 /c with unit cell parameters (I) a = 7.9402(7), b = 10.6312(9), c = 11.7626(10), ?, β = 99.271(5)°, Z = 4 and (II) a = 5.1439(2), b = 9.0636(4), c = 27.1814 (7), ?, β = 95.116(2)°, Z = 4. In (I) the molecule consists of a 5-pyridine-4-yl group bonded to the carbon atom at the 5 position of (1, 3, 4) oxadiazole-2 thione hydrochloride monohydrate. The angle between the mean planes of the oxadiazole and pyridine rings is 9.6(6)°. Crystal packing in (I) is stabilized by strong N–H···O hydrogen bonds in concert with a solvent water molecule and weak O–H···Cl, O–H···S, N–H···Cl intermolecular interactions. The crystal structure of compound (II) consists of 4 [5-ethylsulfanyl)-(1, 3, 4) thiadiazole-2-yl]-pyridinium perchlorate, (C9H10N3S2)+(ClO4)−, cation–anion pairs, containing strong intermolecular N–H···O hydrogen bonds and weak C–H···O and N–H···O intermolecular interactions operating between the ionic species that form a cooperative hydrogen-bonded, infinite chain O–H···O–H···O–H network which generates a sheet motif structure in the unit cell. It is also supported by weak intermolecular Cg···Cg π–π and Cl–O···Cg π-ring interactions which gives additional support to molecular packing stability in the unit cell. Geometry optimized MOPAC AM1 computational calculations on each compound provides support to the structural features in their respective crystal structures. 相似文献16.
Ajay Pal Singh Pannu Maninder Singh Hundal 《Journal of chemical crystallography》2011,41(10):1447-1450
Abstract
The Schiff base C10H13N3O2S is monoclinic, having unit cell parameters a = 9.788(1) ?, b = 9.615(1) ?, c = 12.605(1) ?, β = 108.41(1)° and V = 1125.56(2) ?3 and belongs to P21/n space group. The molecule is almost planar. The two hydroxyl groups present on the phenyl ring are involved in intermolecular H-bonding, which results in the stacking of molecules in the anti-parallel fashion leading an interesting network of channels. Besides this C–H⋯π and π–π (edge to edge) interactions appear to provide stability to the crystal lattice. 相似文献17.
Abstract The 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester 6 was synthesized from p-bromoaniline. The yielded product 6 was investigated with X-ray crystallographic, NMR, MS, and IR techniques. Compound 6, C13H15BrN4O2S, Mr = 371.26, crystallizes in the monoclinic space group P21/n with unit cell parameters a = 5.5220(1), b = 26.996(5), c = 10.596(2) ?, β = 103.83(3). V = 1533.8(5) ?3, Z = 4, Dx = 1.608 mg m−3. The final R
1 was 0.0844; wR
2 was 0.1560. H-bond is discussed.
Index Abstract The structure of 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester from 5-amino-1-(4-bromophenyl)-1,2,3-triazol-4-carboxylic acid ethyl ester is
studied. H-bond is discussed.
相似文献
18.
Chun-nian Xia Wei-xiao Hu Wei Zhou Guo-hong Wang 《Journal of chemical crystallography》2008,38(8):583-586
Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation of protocatechualdehyde with monoheptyl-malonate and recrystallized from
benzene, was confirmed by single-crystal X-ray diffraction (CCDC 272827). The compound crystallizes in triclinic space group
Pī with cell parameters a = 5.296(3) ?, b = 10.711(13) ?, c = 13.870(4) ?, α = 98.84(7)°, β = 90.97(4)°, γ = 96.77(7)° and
Z = 2. The structure is the E isomer and its packing is stabilized by intermolecular O–H···O and C–H···O hydrogen bonds.
Index Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation, was confirmed by single-crystal X-ray diffraction showing its structure
is in E isomer and its packing is stabilized by hydrogen bonds.
相似文献
19.
Abstract The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)2]·C2H5OH (1 · C2H5OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes
in monoclinic space group P21/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?3. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent
spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer
transition (LCCT) with π → π* property.
Index Abstract
A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized
by X-ray crystallography and fluorescent studies.
相似文献
20.
Teshome B. Yisgedu Yohannes T. Tesema Yilma Gultneh Ray J. Butcher 《Journal of chemical crystallography》2009,39(5):315-319
Abstract The structure of an Fe(III) complex of reduced Schiff base is reported. The title compound, C21H30ClFeN4O6 (I), crystallizes in the monoclinic space group P21/n with cell constants: a = 9.988(2) ?, b = 20.430(5) ?, c = 11.415(3) ?, β = 105.480(4)°. It contains a six-coordinate FeN4O2 cation where the ligand is a reduced Schiff base resulting from the NaBH4 reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane. Due to the increased flexibility
of the saturated backbone of the ligand compared to the Schiff base from which it was synthesized, the complex adopts a trans-FeN4O2 conformation. There is extensive hydrogen bonding between the amine H atoms and the anion O atoms.
Index Abstract The structure of an Fe(III) complex of reduced Schiff base is reported which adopts a trans-FeN4O2 conformation where the ligand is a reduced hexadentate Schiff base resulting from the NaBH4 reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane.
相似文献