The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid

2014 ◽  
Vol 70 (8) ◽  
pp. 738-741 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Hydrogen Bonding ◽  
Sodium Salt ◽  
Three Dimensional ◽  
Three Dimensions ◽  
Dimensional Structure ◽  
Water Molecules ◽  
One Dimensional ◽  
Arsanilic Acid ◽  
Hydrogen Bonding Interactions ◽  
The One

The structures of two hydrated salts of 4-aminophenylarsonic acid (p-arsanilic acid), namely ammonium 4-aminophenylarsonate monohydrate, NH4+·C6H7AsNO3−·H2O, (I), and the one-dimensional coordination polymercatena-poly[[(4-aminophenylarsonato-κO)diaquasodium]-μ-aqua], [Na(C6H7AsNO3)(H2O)3]n, (II), have been determined. In the structure of the ammonium salt, (I), the ammonium cations, arsonate anions and water molecules interact through inter-species N—H...O and arsonate and water O—H...O hydrogen bonds, giving the common two-dimensional layers lying parallel to (010). These layers are extended into three dimensions through bridging hydrogen-bonding interactions involving thepara-amine group acting both as a donor and an acceptor. In the structure of the sodium salt, (II), the Na+cation is coordinated by five O-atom donors, one from a single monodentate arsonate ligand, two from monodentate water molecules and two from bridging water molecules, giving a very distorted square-pyramidal coordination environment. The water bridges generate one-dimensional chains extending alongcand extensive interchain O—H...O and N—H...O hydrogen-bonding interactions link these chains, giving an overall three-dimensional structure. The two structures reported here are the first reported examples of salts ofp-arsanilic acid.

A one-dimensional copper coordination polymer containing both dicyanamide and 1,10-phenanthroline ligands

2003 ◽  
Vol 59 (11) ◽  
pp. m491-m493 ◽  
Author(s):  
A-Qing Wu ◽  
Li-Zhen Cai ◽  
Wen-Tong Chen ◽  
Guo-Cong Guo ◽  
Jin-Shun Huang
Keyword(s):  
Hydrogen Bonding ◽  
Repeat Unit ◽  
Three Dimensional ◽  
Polymer Chains ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Acetate Anion ◽  
One Dimensional ◽  
Copper Coordination

The crystal structure of catena-poly[[[acetato(1,10-phenanthroline-κ2 N,N′)copper(II)]-μ-dicyanamido-κ2 N 1:N 5] trihydrate], {[Cu(C2H3O2)(C2N3)(C12H8N2)]·3H2O} n , consists of a zigzag chain formed by the polymer [Cu(CH3COO)(dca)(phen)] n (phen is 1,10-phenanthroline and dca is dicyanamide), with three water molecules per repeat unit of the polymer. The CuII atom has a slightly distorted square-pyramidal coordination environment consisting of two N atoms of the phen ligand, two nitrile N atoms of different dca ligands, one of them axial, and one O atom of the acetate anion. The compound forms a one-dimensional chain using dca as an end-to-end bridging ligand. Non-covalent interactions, π–π stacking and hydrogen bonding mediate the bundling of the polymer chains into a three-dimensional structure, with the water molecules playing an important role in the hydrogen bonding.

scholarly journals Crystal structure of poly[[di-μ2-aqua-aquasodium] 4-amino-3,5,6-trichloropyridine-2-carboxylate trihydrate], the sodium salt of the herbicide picloram

2015 ◽  
Vol 71 (8) ◽  
pp. 931-933
Author(s):  
Graham Smith
Keyword(s):  
Sodium Salt ◽  
Three Dimensional ◽  
Chain Structure ◽  
Title Complex ◽  
Dimensional Structure ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Amino Group ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions

In the structure of the title complex, {[Na(H2O)3](C6H2Cl3N2O2)·3H2O}n, the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ2-aqua-bridged NaO5trigonal–bipyramidal complex units which have, in addition, a singly bonded water molecule. Each of the bridges within the chain, which extends parallel to theaaxis, is centrosymmetric, with Na...Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water molecules of solvation and these, as well as the coordinating water molecules and the amino group of the 4-amino-3,5,6-trichloropicolinate anion, are involved in extensive inter-species hydrogen-bonding interactions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetrawaterR44(8) motif, resulting in an overall three-dimensional structure.

A new one-dimensional CdII coordination polymer incorporating 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)

2018 ◽  
Vol 74 (10) ◽  
pp. 1128-1132 ◽  
Author(s):  
Yan-Ju Liu ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Jun-Di Zhang ◽  
Huai-Xia Yang
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
The One

Imidazole-4,5-dicarboxylic acid (H3IDC) and its derivatives are widely used in the preparation of new coordination polymers owing to their versatile bridging coordination modes and potential hydrogen-bonding donors and acceptors. A new one-dimensional coordination polymer, namely catena-poly[[diaquacadmium(II)]-μ3-2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylato)], [Cd(C16H6N4O8)0.5(H2O)2] n or [Cd(H2Phbidc)1/2(H2O)2] n , has been synthesized by the reaction of Cd(OAc)2·2H2O (OAc is acetate) with 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, one type of Cd ion (Cd1) is six-coordinated by two N atoms and two O atoms from one H2Phbidc4− ligand and by two O atoms from two water molecules, forming a significantly distorted octahedral CdN2O4 coordination geometry. In contrast, the other type of Cd ion (Cd2) is six-coordinated by two N atoms and two O atoms from two symmetry-related H2Phbidc4− ligands and by two O atoms from two symmetry-related water molecules, leading to a more regular octahedral coordination geometry. The Cd1 and Cd2 ions are linked by H2Phbidc4− ligands into a one-dimensional chain which runs parallel to the b axis. In the crystal, the one-dimensional chains are connected through hydrogen bonds, generating a two-dimensional layered structure parallel to the ab plane. Adjacent layers are further linked by hydrogen bonds, forming a three-dimensional structure in the solid state.

Three-dimensional hydrogen-bonded assembly in 2,2′-disulfanylidene-5,5′-biimidazolidinylidene-4,4′-dione–dimethylformamide–water (3/2/4)

2013 ◽  
Vol 69 (12) ◽  
pp. 1545-1548 ◽  
Author(s):  
De-Hong Wu
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Graph Set ◽  
Ribbon Structures ◽  
Hydrogen Bonded

The title compound, 3C6H4N4O2S2·2C3H7NO·4H2O, comprises three 2,2′-disulfanylidene-5,5′-biimidazolidinylidene-4,4′-dione molecules, two dimethylformamide molecules and four water molecules arranged around a crystallographic inversion centre. The non-H atoms within the 5,5′-biimidazolidinylidene molecule are coplanar and these molecules aggregate through N—H...S hydrogen-bonding interactions with cyclic motifs [graph setR22(8)], giving two-dimensional ribbon structures which are close to being parallel. The two independent water molecules associate to form centrosymmetric cyclic hydrogen-bonded (H2O)4tetrameric units [graph setR44(8)]. The ribbon structures extend along theaaxis and are linked through the water tetramers and the dimethylformamide molecules by a combination of two- and three-centre hydrogen bonds, giving an overall three-dimensional structure.

scholarly journals The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid

2017 ◽  
Vol 73 (1) ◽  
pp. 61-67 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Hydrogen Bonding Interactions ◽  
Arsonic Acid

(4-Aminophenyl)arsonic acid (p-arsanilic acid) is used as an antihelminth in veterinary applications and was earlier used in the monosodium salt dihydrate form as the antisyphilitic drug atoxyl. Examples of complexes with this acid are rare. The structures of the alkaline earth metal (Mg, Ca, Sr and Ba) complexes with (4-aminophenyl)arsonic acid (p-arsanilic acid) have been determined, viz. hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate, [Mg(H2O)6](C6H7AsNO3)·4H2O, (I), catena-poly[[[diaquacalcium]-bis[μ2-hydrogen (4-aminophenyl)arsonato-κ2 O:O′]-[diaquacalcium]-bis[μ2-hydrogen (4-aminophenyl)arsonato-κ2 O:O]] dihydrate], {[Ca(C6H7AsNO3)2(H2O)2]·2H2O} n , (II), catena-poly[[triaquastrontium]-bis[μ2-hydrogen (4-aminophenyl)arsonato-κ2 O:O′]], [Sr(C6H7AsNO3)2(H2O)3] n , (III), and catena-poly[[triaquabarium]-bis[μ2-hydrogen (4-aminophenyl)arsonato-κ2 O:O′]], [Ba(C6H7AsNO3)2(H2O)3] n , (IV). In the structure of magnesium salt (I), the centrosymmetric octahedral [Mg(H2O)6]2+ cation, the two hydrogen p-arsanilate anions and the four water molecules of solvation form a three-dimensional network structure through inter-species O—H and N—H hydrogen-bonding interactions with water and arsonate O-atom and amine N-atom acceptors. In one-dimensional coordination polymer (II), the distorted octahedral CaO6 coordination polyhedron comprises two trans-related water molecules and four arsonate O-atom donors from bridging hydrogen arsanilate ligands. One bridging extension is four-membered via a single O atom and the other is eight-membered via O:O′-bridging, both across inversion centres, giving a chain coordination polymer extending along the [100] direction. Extensive hydrogen-bonding involving O—H...O, O—H...N and N—H...O interactions gives an overall three-dimensional structure. The structures of the polymeric Sr and Ba complexes (III) and (IV), respectively, are isotypic and are based on irregular MO7 coordination polyhedra about the M 2+ centres, which lie on twofold rotation axes along with one of the coordinated water molecules. The coordination centres are linked through inversion-related arsonate O:O′-bridges, giving eight-membered ring motifs and forming coordination polymeric chains extending along the [100] direction. Inter-chain N—H...O and O—H...O hydrogen-bonding interactions extend the structures into three dimensions and the crystal packing includes π–π ring interactions [minimum ring centroid separations = 3.4666 (17) Å for (III) and 3.4855 (8) Å for (IV)].

CdII and CoII coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1H-benzimidazole ligands

2014 ◽  
Vol 70 (5) ◽  
pp. 488-492
Author(s):  
Xiao-Hua Chen ◽  
Hua Huang ◽  
Ming-Xing Yang ◽  
Li-Juan Chen ◽  
Shen Lin
Keyword(s):  
Hydrogen Bonding ◽  
Layer Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Complex Forms ◽  
Coordinated Water

In poly[aqua(μ3-benzene-1,4-dicarboxylato-κ5 O 1,O 1′:O 1:O 4,O 4′)[2-(pyridin-3-yl-κN)-1H-benzimidazole]cadmium(II)], [Cd(C8H4O4)(C12H9N3)(H2O)] n , (I), each CdII ion is seven-coordinated by the pyridine N atom from a 2-(pyridin-3-yl)benzimidazole (3-PyBIm) ligand, five O atoms from three benzene-1,4-dicarboxylate (1,4-bdc) ligands and one O atom from a coordinated water molecule. The complex forms an extended two-dimensional carboxylate layer structure, which is further extended into a three-dimensional network by hydrogen-bonding interactions. In catena-poly[[diaquabis[2-(pyridin-3-yl-κN)-1H-benzimidazole]cobalt(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4], [Co(C8H4O4)(C12H9N3)2(H2O)2] n , (II), each CoII ion is six-coordinated by two pyridine N atoms from two 3-PyBIm ligands, two O atoms from two 1,4-bdc ligands and two O atoms from two coordinated water molecules. The complex forms a one-dimensional chain-like coordination polymer and is further assembled by hydrogen-bonding interactions to form a three-dimensional network.

scholarly journals Dodecan-1-aminium sulfate trihydrate

IUCrData ◽  
2019 ◽  
Vol 4 (5) ◽  
Author(s):  
Jiapan Liu ◽  
Youying Di ◽  
Fengying Chen
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Sulfate Ions ◽  
Sulfate Anion ◽  
Hydrogen Bonding Interactions ◽  
Inorganic Layers ◽  
Thick Layers

The asymmetric unit of the title salt, 2C12H28N+·SO4 2−·3H2O, contains two n-dodecylammonium cations, one sulfate anion and three water molecules. In the crystal, N—H...O hydrogen bonds link the cations and anions into layers parallel to (100). These layers are further connected through O—H...O hydrogen-bonding interactions involving the sulfate ions and the isolated water molecules. The three-dimensional structure can also be considered as the superposition of thin inorganic layers of SO4 2− anions and thick layers of alkylammonium cations perpendicular to the c axis.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

(NH4)[B3PO6(OH)3]·0.5H2O

2007 ◽  
Vol 63 (11) ◽  
pp. i185-i185 ◽  
Author(s):  
Wei Liu ◽  
Jingtai Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Ammonium Ions ◽  
One Dimensional ◽  
Bond Network ◽  
Solvothermal Conditions

The title compound, ammonium catena-[monoboro-monodihydrogendiborate-monohydrogenphosphate] hemihydrate, was obtained under solvothermal conditions using glycol as the solvent. The crystal structure is constructed of one-dimensional infinite borophosphate chains, which are interconnected by ammonium ions and water molecules via a complex hydrogen-bond network to form a three-dimensional structure. The water molecules of crystallization are disordered over inversion centres, and their H atoms were not located.

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