scholarly journals Poly[[(μ4-benzene-1,3,5-tricarboxylato-κ4O1:O1′:O2:O3)bis(2,2-bipyridine-κ2N,N′)(μ2-hydroxido)dicopper(II)] trihydrate]

2014 ◽  
Vol 70 (7) ◽  
pp. m270-m271
Author(s):  
Mohamed N. El-kaheli ◽  
Ramadan M. El-mehdawi ◽  
Ramadan G. Abuhmaiera ◽  
Mufida M. Ben Younes ◽  
Fathia A. Treish ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Water Molecules ◽  
Two Dimensional ◽  
Aromatic Rings ◽  
Bipy Ligand ◽  
Lattice Water ◽  
Pyramidal Geometry ◽  
Polymeric Layer ◽  
Square Pyramidal Geometry

In the title two-dimensional coordination polymer, {[Cu2(C9H3O6)(OH)(C10H8N2)2]·3H2O}n, each of the two independent CuIIatoms is coordinated by a bridging OH group, two O atoms from two benzene-1,3,5-tricarboxylate (L) ligands and two N atoms from a 2,2- bipyridine (bipy) ligand in a distorted square-pyramidal geometry. EachLligand coordinates four CuIIatoms, thus forming a polymeric layer parallel to thebcplane with bipy molecules protruding up and down. The lattice water molecules involved in O—H...· O hydrogen bonding are situated in the inner part of each layer. The crystal packing is consolidated by π–π interactions between the aromatic rings of bipy ligands from neigbouring layers [intercentroid distance = 3.762 (3) Å].

scholarly journals Crystal structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate

2017 ◽  
Vol 73 (10) ◽  
pp. 1483-1487
Author(s):  
P. Sivakumar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations

The title salt (I), C6H8N+·C20H17O8−, comprises a 2-methylpyridinium cation and a 2,3-bis(4-methylbenzoyloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8−·5H2O, consists of a pair of 4-methylpyridinium cations and 2,3-bis(4-methylbenzoyloxy)succinate mono-anions and five water molecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion molecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N—H...O, O—H...O and C—H...O hydrogen bonds as well as weak C—H...π interactions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N—H...O and O—H...O hydrogen bonds involving also the water molecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C—H...O and C—H...π interactions.

scholarly journals Crystal structure of a mononuclear copper(II) complex with 2-methoxy-N,N-bis(quinolin-2-ylmethyl)ethylamine (DQMEA)

2018 ◽  
Vol 74 (8) ◽  
pp. 1138-1141
Author(s):  
Steven T. Frey ◽  
Jason Li ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Complex Cation ◽  
Axial Position ◽  
Charge Balance ◽  
X Ray Diffraction ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry ◽  
Monodentate Coordination

Structural characterization of the compound [Cu(C2H3N)(C23H23N3O)](ClO4)2] or [Cu(C2H3N)(DQMEA)](ClO4)2] [DQMEA = 2-methoxy-N,N-bis(quinolin-2-ylmethyl)ethylamine] {systematic name: (acetonitrile)[2-methoxy-N,N-bis(quinolin-2-ylmethyl)ethylamine]copper(II) diperchlorate} by single-crystal X-ray diffraction reveals a complex cation with a tetradentate coordination of the DQMEA ligand along with monodentate coordination of a CH3CN ligand to a single CuII center, with two perchlorate anions providing charge balance. The CuII center has a distorted square-pyramidal geometry in which the nitrogen atoms of the DQMEA and CH3CN ligands occupy the equatorial positions, while the oxygen atom of the DQMEA ligand resides in the axial position with an elongated Cu—O bond. The quinoline ring systems are nearly co-planar in the structure, while the linear CH3CN ligand is tilted significantly below this plane, and the central nitrogen of DQMEA is above it. Within the complex, weak C—H...N hydrogen bonding takes place between the nitrogen of CH3CN and a neighboring quinolyl group. The perchlorate ions are disordered within the structure, but undergo a number of weak intermolecular C—H...O hydrogen-bonding interactions. Additional weak π-stacking interactions between the quinolyl groups of neighboring complexes further stabilize the crystal packing.

scholarly journals Dichlorido{N′-[phenyl(pyridin-2-yl-κN)methylidene]isonicotinohydrazide-κ2N′,O}zinc

2013 ◽  
Vol 69 (2) ◽  
pp. m108-m108
Author(s):  
Adama Sy ◽  
Moussa Dieng ◽  
Ibrahima Elhadj Thiam ◽  
Mohamed Gaye ◽  
Pascal Retailleau
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Organic Ligand ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Square Pyramidal Geometry ◽  
Cl Atoms

The title compound, [ZnCl2(C18H14N4O)], crystallizes with two molecules in the asymmetric unit, which differ in the tautomeric (neutral and zwitterionic) forms of the coordinating organic ligand. In both molecules, the ZnIIatom adopts a distorted square–pyramidal geometry by two N and one O atoms of the Schiff base ligand and two Cl atoms acting as monodentate chloride anions. The crystal packing is stabilized by N—H...N and N—H...Cl hydrogen bonds, forming a two-dimensional network parallel to theacplane.

scholarly journals cyclo-Tetrakis{μ-N′-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m727-m728
Author(s):  
Xiang-Wen Wu ◽  
Qing-Long Li ◽  
Jian-Ping Ma ◽  
Yu-Bin Dong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Deprotonated Form ◽  
Complex Molecules ◽  
Lattice Water ◽  
Pyramidal Geometry ◽  
Centroid Distance ◽  
A Chain ◽  
Square Pyramidal Geometry

In the title compound, [Zn4(C16H10N4O2)4]·4H2O, the N′-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidate (L 2−) ligand binds to the metal ions, forming stable five- and six-membered chelate rings, leaving the pyridyl groups free. The compound is a tetranuclear ZnII complex centered about a fourfold roto-inversion axis, with the ligand coordinating in the doubly deprotonated form. The ZnII atom has a distorted square-pyramidal geometry being coordinated by one N and two O-atom donors from the doubly deprotonated L 2− ligand, and by one N atom and one O-atom donor from a symmetry-related L 2− ligand. In the crystal, four symmetry-related lattice water molecules, centred about a fourfold roto-inversion axis, form a cyclic tetramer through O—H...O hydrogen bonds. These tetramers connect to the complex molecules through O—H...N hydrogen bonds, forming a chain propagating along [100]. Neighbouring molecules are linked by π–π interactions [centroid–centroid distance = 3.660 (2) Å] involving the quinolidine rings.

Aqua(L-aspartato-κ2 N,O)(2,2′-bipyridine-κ2 N,N)copper(II) pentahydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m965-m967 ◽  
Author(s):  
Hong-Jian Zhao ◽  
Ming-Xing Li ◽  
Min Shao ◽  
Hong-Jiang Liu
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
Pyramidal Geometry ◽  
Bipyridine Ligand ◽  
Coordinated Water ◽  
Square Pyramidal Geometry

In the title compound, [Cu(C4H5NO4)(C10H8N2)(H2O)]·5H2O, the CuII atom is coordinated by an N,O-bidentate L-aspartate dianion, a bipyridine ligand and a water molecule in a distorted square-pyramidal geometry. Intermolecular hydrogen bonds involving the non-coordinated water molecules help to consolidate the crystal packing.

scholarly journals Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate

2018 ◽  
Vol 74 (11) ◽  
pp. 1569-1573
Author(s):  
Nikhila Pai ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2·H2O, consists of two independent molecules and two water molecules. The central parts of the molecules are twisted as both the molecules are bent at both the S and N atoms. In the crystal, N—H...N, N—H...O, C—H...O and O—H...O hydrogen-bonding interactions connect the molecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O...H/H...O (32.9%) and H...H (22.6%) interactions.

Competition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate

2019 ◽  
Vol 234 (2) ◽  
pp. 119-128 ◽  
Author(s):  
José Antônio do Nascimento Neto ◽  
Cameron Capeletti da Silva ◽  
Leandro Ribeiro ◽  
Ana Karoline Silva Mendanha Valdo ◽  
Felipe Terra Martins
Keyword(s):  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Organic Molecules ◽  
Energy Difference ◽  
Water Molecules ◽  
Coordination Numbers ◽  
Lattice Water ◽  
Hydrogen Bonding Interactions ◽  
Metal Organic ◽  
Coordination Bonds

Abstract The delicate balance among conformation, coordination bonds and hydrogen bonding has been probed in solvatomorphs of known metal-organic molecules synthesised from copper(II), cadmium(II) and cobalt(II) with acetate (OAc) and 2,2′-bipyridine (bipy). The Cu(OAc)2(bipy) complex, isolated as a pentahydrate, has the acetate ligands oriented to opposite sides of the coordination square plane. DFT calculations show the energy difference between this structure and a syn form amount to approximately 16 kJ/mol. The presence of lattice water enables the formation of O–H···O hydrogen bonds with the acetate ligands. Different coordination numbers and energies are found as a function of the number of water molecules co-crystallising in the Cd(OAc)2(bipy)(OH2)·3H2O and [Co(OAc)(bipy)2](OAc)·3H2O complexes.

scholarly journals Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) 2-aminopyridine disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. 165-167 ◽  
Author(s):  
Wafa Harhouri ◽  
Salma Dhifaoui ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axial Ligand ◽  
Pyramidal Geometry ◽  
Porphyrin Macrocycle ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the MnIIIcentre is coordinated by four pyrrole N atoms [averaged Mn—N = 2.012 (4) Å] of the tetraphenylporphyrin molecule and one chloride axial ligand [Mn—Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with majorrufflingandsaddlingdistortions. In the crystal, two independent solvent molecules form dimers through N—H...N hydrogen bonding. In these dimers, one amino N atom has a short Mn...N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octahedron, and another amino atom generates weak N—H...Cl hydrogen bonds, which link further all molecules into chains along theaaxis.

scholarly journals Poly[diaqua(μ5-pyridine-3,5-dicarboxylato)strontium]

2012 ◽  
Vol 68 (6) ◽  
pp. m835-m835 ◽  
Author(s):  
Dan Li ◽  
Chaowen Duan
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Carboxylate Groups

In the structure of the title compound, [Sr(C7H3NO4)(H2O)2] n , the SrII cation is eight-coordinated in form of a distorted dodecahedron by two water O atoms and by five O atoms and one N atom from five pyridine-3,5-dicarboxylate anions. The bridging mode of the anions leads to the formation of a layered network parallel to (100). O—H...O hydrogen bonding between the coordinating water molecules and the carboxylate groups of adjacent layers consolidates the crystal packing. Weak C—H...O interactions are also observed.

A two-dimensional silver(I) coordination polymer constructed from 4-aminophenylarsonate and triphenylphosphane: poly[[(μ3-4-aminophenylarsonato-κ3N:O:O)(triphenylphosphane-κP)silver(I)] monohydrate]

2015 ◽  
Vol 71 (4) ◽  
pp. 258-261 ◽  
Author(s):  
Zu-Ping Xiao ◽  
Meng Wen ◽  
Chun-Ya Wang ◽  
Xi-He Huang
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Mode ◽  
Aqueous Ammonia ◽  
Van Der Waals Interactions ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Amine Groups

The title compound, {[Ag(C6H7AsNO3)(C18H15P)]·H2O}n, has been synthesized from the reaction of 4-aminophenylarsonic acid with silver nitrate, in aqueous ammonia, with the addition of triphenylphosphane (PPh3). The AgIcentre is four-coordinated by one amino N atom, one PPh3P atom and two arsonate O atoms, forming a severely distorted [AgNPO2] tetrahedron. Two AgI-centred tetrahedra are held together to produce a dinuclear [Ag2O2N2P2] unit by sharing an O–O edge. 4-Aminophenylarsonate (Hapa−) adopts a μ3-κ3N:O:O-tridentate coordination mode connecting two dinuclear units, resulting in a neutral [Ag(Hapa)(PPh3)]nlayer lying parallel to the (10\overline{1}) plane. The PPh3ligands are suspended on both sides of the [Ag(Hapa)(PPh3)]nlayer, displaying up and down orientations. There is anR22(8) hydrogen-bonded dimer involving two arsonate groups from two Hapa−ligands related by a centre of inversion. Additionally, there are hydrogen-bonding interactions involving the solvent water molecules and the arsonate and amine groups of the Hapa−ligands, and weak π–π stacking interactions within the [Ag(Hapa)(PPh3)]nlayer. These two-dimensional layers are further assembled by weak van der Waals interactions to form the final architecture.

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