scholarly journals A second monoclinic polymorph of caesium salicylate monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonding ◽  
Salicylic Acid ◽  
Water Molecule ◽  
Coordination Polyhedron ◽  
Repeat Unit ◽  
Carboxyl Group ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Sheet Structure ◽  
Phenolic Group

The structure of the title caesium salt with salicylic acid, poly[μ2-aqua-μ4-(salicylato-κ4O1:O1:O1′:O2)caesium], [Cs(C7H5O3)(H2O)]n, represents a second monoclinic polymorph of this compound. The two-dimensional coordination polymeric structure is based on a centrosymmetric dinuclear bridged repeat unit with each irregular CsO6coordination polyhedron comprising a μ2-bridging water molecule and μ4-bridging O-atom donors, three from the carboxyl group and one from the phenolic group of the salicylate ligand. The Cs—O bond range is 3.023 (3)–3.368 (4) Å and the Cs...Cs separation within the dinuclear unit is 4.9265 (6) Å. The polymeric sheet structure lies parallel to (010) with the water molecule and the phenol group involved in intra-polymer O—H...Ocarboxylhydrogen-bonding interactions.

scholarly journals Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid

2013 ◽  
Vol 69 (12) ◽  
pp. 1472-1477 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Coordination Polyhedron ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Π Interactions ◽  
Nitrobenzoic Acid ◽  
Distorted Octahedral ◽  
Polymeric Structures

The structures of the hydrated sodium salts of 4-chloro-3-nitrobenzoic acid {poly[aqua(μ4-4-chloro-3-nitrobenzoato)sodium(I)], [Na(C7H3ClNO4)(H2O)]n, (I)} and 2-amino-4-nitrobenzoic acid {poly[μ-aqua-aqua(μ3-2-amino-4-nitrobenzoato)sodium(I)], [Na(C7H5N2O4)(H2O)2]n, (II)}, and the hydrated potassium salt of 2-amino-4-nitrobenzoic acid {poly[μ-aqua-aqua(μ5-2-amino-4-nitrobenzoato)potassium(I)], [K(C7H5N2O4)(H2O)]n, (III)} have been determined and their complex polymeric structures described. All three structures are stabilized by intra- and intermolecular hydrogen bonding and strong π–π ring interactions. In the structure of (I), the distorted trigonal bipyrimidal NaO5coordination polyhedron comprises a monodentate water molecule and four bridging carboxylate O-atom donors, generating a two-dimensional polymeric structure lying parallel to (001). Intra-layer hydrogen-bonding associations and strong inter-ring π–π interactions are present. Structure (II) has a distorted octahedral NaO6stereochemistry, with four bridging O-atom donors, two from a single carboxylate group and two from a single nitro group and three from the two water molecules, one of which is bridging. Na centres are linked through centrosymmetric four-membered duplex water bridges and through 18-membered duplex head-to-tail ligand bridges. Similar centrosymmetric bridges are found in the structure of (III), and in both (II) and (III) strong inter-ring π–π interactions are found. A two-dimensional layered structure lying parallel to (010) is generated in (II), whereas in (III) the structure is three-dimensional. With (III), the irregular KO7coordination polyhedron comprises a doubly bridging water molecule, a single bidentate bridging carboxylate O-atom donor and three bridging O-atom donors from the two nitro groups. A three-dimensional structure is generated. These coordination polymer structures are among the few examples of metal complexes of any type with either 4-chloro-3-nitrobenzoic acid or 4-nitroanthranilic acid.

A helical zinc(II) coordination polymer assembled from 1,3-bis[(pyridin-3-yl)methoxy]benzene and benzene-1,4-dicarboxylic acid

2014 ◽  
Vol 70 (12) ◽  
pp. 1178-1180 ◽  
Author(s):  
Cai-Xia Yu ◽  
Feng-Ji Ma ◽  
Lei-Lei Liu ◽  
Cong Liu
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Water Molecule ◽  
Dicarboxylic Acid ◽  
Two Dimensional ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Corrugated Sheets

Incatena-poly[[aqua[1,3-bis(pyridine-3-ylmethoxy)benzene-κN]zinc(II)]-μ2-benzene-1,4-dicarboxylato-κ2O1:O4], [Zn(C8H4O4)(C18H16N2O2)(H2O)]n, each ZnIIcentre is tetrahedrally coordinated by two O atoms of bridging carboxylate groups from two benzene-1,4-dicarboxylate anions (denotedL2−), one O atom from a water molecule and one N atom from a 1,3-bis[(pyridin-3-yl)methoxy]benzene ligand (denoted bpmb). (Aqua)O—H...N hydrogen-bonding interactions induce the formation of one-dimensional helical [Zn(L)(bpmb)(H2O)]nchains which are interlinked through (aqua)O—H...O hydrogen-bonding interactions, producing two-dimensional corrugated sheets.

scholarly journals Poly[μ-aqua-μ5-[2-(2,3,6-trichlorophenyl)acetato]-caesium]

2013 ◽  
Vol 69 (12) ◽  
pp. m628-m628 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Water Molecule ◽  
Title Complex ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Cl Atom

In the structure of the title complex, [Cs(C8H4Cl3O2)(H2O)]n, the caesium salt of the commercial herbicide fenac [(2,3,6-trichlorophenyl)acetic acid], the irregular eight-coordination about Cs+comprises a bidentateO:Cl-chelate interaction involving a carboxylate-O atom and anortho-related ring-substituted Cl atom, which is also bridging, a triple-bridging carboxylate-O atom and a bridging water molecule. A two-dimensional polymer is generated, lying parallel to (100), within which there are water–carboxylate O—H...O hydrogen-bonding interactions.

Aquabis(4-formylbenzoato)-κ2 O,O′;κO-(1,10-phenanthroline-κ2 N,N′)cadmium(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2694-m2694 ◽  
Author(s):  
Zhao-Peng Deng ◽  
Shan Gao ◽  
Li-Hua Huo ◽  
Hui Zhao
Keyword(s):  
Hydrogen Bonding ◽  
Layer Structure ◽  
Title Complex ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Trigonal Prismatic Coordination ◽  
Phenanthroline Ligand ◽  
Trigonal Prismatic

The CdII atom in the title complex, [Cd(C8H5O3)2(C12H8N2)(H2O)], is coordinated by three O atoms of two formylbenzoate ligands, two N atoms of a 1,10-phenanthroline ligand and one water molecule, giving rise to a trigonal–prismatic coordination geometry. Adjacent complex molecules are linked into a two-dimensional layer structure via hydrogen-bonding interactions.

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

Effect of intramolecular hydrogen bonding on the relative acidities of substituted salicylic acids in benzene solution

1967 ◽  
Vol 45 (14) ◽  
pp. 1699-1706 ◽  
Author(s):  
G. E. Dunn ◽  
Thomas L. Penner
Keyword(s):  
Hydrogen Bonding ◽  
Electronic Effect ◽  
Benzene Solution ◽  
Intramolecular Hydrogen Bonding ◽  
Acid Strength ◽  
Carboxyl Group ◽  
Hammett Equation ◽  
Phenolic Group ◽  
Intramolecular Hydrogen ◽  
Salicylic Acids

The relative acidities of fifteen 4- and 5-substituted salicylic acids were determined in benzene solution by potentiometric titration. The potentials at half neutralization (h.n.p.) relative to that of salicylic acid were considered to measure the acidities of the substituted acids relative to the parent acid. These potentials, designated by Δhnp, gave a significantly better correlation with Hammett's sigma constants in an equation of the form proposed by Jaffe, Δhnp = ρ1σ1 + ρ2σ2, than in a simple Hammett equation, Δhnp = ρ1σ1. In these equations the subscripts 1 and 2 refer to the position of a substituent relative to the carboxyl group and to the phenolic group respectively. The value of ρ2/ρ1 was found to be 0.4, indicating that the electronic effect of a substituent on the acid strength via the phenolic hydrogen-bonded path is almost half as large as the direct effect through the carboxyl group. These results, together with the fact that in aqueous solution there is very little if any transmission via the phenolic group, are discussed in terms of intramolecular hydrogen bonding of salicylic acids in benzene and in water.

scholarly journals Aqua(azido)[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamido-κ3N,N′,N′′]copper(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m598-m599
Author(s):  
Sandra Bruda ◽  
Mark M. Turnbull ◽  
Jan L. Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Mean Deviation ◽  
Water Molecules ◽  
Air Oxidation ◽  
Apical Position ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Planar Array

The title compound, [Cu(C12H8N3O2)(N3)(H2O)], was formed by the air oxidation of 2-(aminomethyl)pyridine in 95% ethanol in the presence of copper(II) nitrate and sodium azide with condensation of the resulting picolinamide molecules to generate the imide moiety. The CuIIion has a square-pyramidal coordination sphere, the basal plane being occupied by four N atoms [two pyridine (py) N atoms, the imide N atom and an azide N atom] in a nearly planar array [mean deviation = 0.048 (6) Å] with the CuIIion displaced slightly from the plane [0.167 (5) Å] toward the fifth ligand. The apical position is occupied by a coordinating water molecule [Cu—O = 2.319 (4) Å]. The crystal structure is stabilized by hydrogen-bonding interactions between the water molecules and carbonyl O atoms. The inversion-related square-pyramidal complex molecules pack base-to-base with long Cu...Npycontact distances of 3.537 (9) Å, preventing coordination of a sixth ligand.

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.

3-(4-Oxocyclohexyl)propionic acid monohydrate: hydrogen bonding in the hydrate of a ζ-keto acid

2007 ◽  
Vol 63 (3) ◽  
pp. o1173-o1175
Author(s):  
Stephanie M. Witko ◽  
Mark Davison ◽  
Hugh W. Thompson ◽  
Roger A. Lalancette
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Carboxyl Group ◽  
Keto Acid ◽  
Carbonyl Groups ◽  
O 178 ◽  
Network Of Hydrogen Bonds

In the title crystal structure, C9H14O3·H2O, the water molecule accepts a hydrogen bond from the carboxyl group [O...O = 2.6004 (13) Å and O—H...O = 163°], while donating hydrogen bonds to the ketone [O...O = 2.8193 (14) Å and O—H...O = 178 (2)°] and the acid carbonyl groups [O...O = 2.8010 (14) Å and O—H...O = 174 (2)°]. This creates a network of hydrogen bonds confined within a continuous flat ribbon two molecules in width and extending in the [101] direction.

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