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.

scholarly journals Crystal structure of a polymeric calcium levulinate dihydrate:catena-poly[[diaquacalcium]-bis(μ2-4-oxobutanoato)]

2015 ◽  
Vol 71 (5) ◽  
pp. 494-497
Author(s):  
Ananda S. Amarasekara ◽  
Dominique T. Sterling-Wells ◽  
Carlos Ordonez ◽  
Marie-Josiane Ohoueu ◽  
Marina S. Fonari
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Axial Direction ◽  
Chain Structure ◽  
Dimensional Structure ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Carboxylate Ligands ◽  
Length Range

In the title calcium levulinate complex, [Ca(C5H7O3)2(H2O)2]n, the Ca2+ion lies on a twofold rotation axis and is octacoordinated by two aqua ligands and six O atoms from four symmetry-related carboxylate ligands, giving a distorted square-antiprismatic coordination stereochemistry [Ca—O bond-length range = 2.355 (1)–2.599 (1) Å]. The levulinate ligands act both in a bidentate carboxylO,O′-chelate mode and in a bridging mode through one carboxyl O atom with an inversion-related Ca2+atom, giving a Ca...Ca separation of 4.0326 (7) Å. A coordination polymeric chain structure is generated, extending along thec-axial direction. The coordinating water molecules act as double donors and participate in intra-chain O—H...O hydrogen bonds with carboxyl O atoms, and in inter-chain O—H...O hydrogen bonds with carbonyl O atoms, thus forming an overall three-dimensional structure.

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.

scholarly journals Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ2 N,N′}nickel(II) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m809-m810 ◽  
Author(s):  
Chao-Zhu Li ◽  
Xue-Ren Huang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Framework Structure ◽  
Distorted Octahedral Environment ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Ni(C12H9N2O3S)2(H2O)2]·4H2O, the NiII ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methylideneamino]benzenesulfonate ligands and two O atoms from cis-related water molecules in a slightly distorted octahedral environment [Ni—N = 2.071 (3)–2.121 (3) Å and Ni—O = 2.071 (2) and 2.073 (3) Å]. In the crystal, the coordinated water molecules and the four water molecules of solvation are involved in intermolecular O—H...O hydrogen-bonding interactions with water and sulfonate O-atom acceptors, giving a three-dimensional framework structure.

scholarly journals Poly[[tetraaquabis(μ3-5-carboxybenzene-1,2,4-tricarboxylato)tricadmium] tetrahydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m801-m802
Author(s):  
Yong-Yan Jia ◽  
Xin-Nian Xie ◽  
Huai-Xia Yang
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Three Dimensional Structure ◽  
The Third ◽  
Distorted Octahedral

There are three independent CdII ions in the title complex, {[Cd3(C10H3O8)2(H2O)4]·4H2O} n , one of which is coordinated by four O atoms from three 5-carboxybenzene-1,2,4-tricarboxylate ligands and by two water molecules in a distorted octahedral geometry. The second CdII ion is coordinated by five O atoms from four 5-carboxybenzene-1,2,4-tricarboxylate ligands and by one water molecule also in a distorted octahedral geometry while the third CdII ion is coordinated by five O atoms from three 5-carboxybenzene-1,2,4-tricarboxylate ligands and by one water molecule in a highly distorted octahedral geometry. The 5-carboxybenzene-1,2,4-tricarboxylate ligands bridge the CdII ions, resulting in the formation of a three-dimensional structure. Intra- and intermolecular O—H...O hydrogen bonds are present throughout the three-dimensional structure.

A new one-dimensional nickel metal–organic framework:catena-poly[[[diaquabis(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] monohydrate]

2014 ◽  
Vol 70 (3) ◽  
pp. 267-271 ◽  
Author(s):  
Aijing Geng ◽  
Qingfu Zhang ◽  
Jiajia Wang ◽  
Haina Zhang ◽  
Dezhi Sun
Keyword(s):  
Three Dimensional ◽  
Nickel Chloride ◽  
Chain Structure ◽  
Title Complex ◽  
Water Molecules ◽  
Hydrothermal Conditions ◽  
Nickel Metal ◽  
One Dimensional ◽  
Metal Organic ◽  
Coordinated Water

The title complex, {[Ni(C15H11N4O2S)2(C10H8N2)(H2O)2]·H2O}n, was synthesized by the reaction of nickel chloride, 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (HL) and 4,4′-bipyridine (bpy) under hydrothermal conditions. The asymmetric unit contains two half NiIIions, each located on an inversion centre, twoL−ligands, one bpy ligand, two coordinated water molecules and one unligated water molecule. Each NiIIcentre is six-coordinated by two monodentate carboxylate O atoms from two differentL−ligands, two pyridine N atoms from two different bpy ligands and two terminal water molecules, displaying a nearly ideal octahedral geometry. The NiIIions are bridged by 4,4′-bipyridine ligands to afford a linear array, with an Ni...Ni separation of 11.361 (1) Å, which is further decorated by two monodentateL−ligandstransto each other, resulting in a one-dimensional fishbone-like chain structure. These one-dimensional fishbone-like chains are further linked by O—H...O, O—H...N and C—H...O hydrogen bonds and π–π stacking interactions to form a three-dimensional supramolecular architecture. The thermal stability of the title complex was investigatedviathermogravimetric analysis.

A novel three-dimensional AgIcoordination polymer based on mixed naphthalene-1,5-disulfonate and aminoacetate ligands

2013 ◽  
Vol 69 (8) ◽  
pp. 876-879
Author(s):  
Hua Wu ◽  
Xiao-Li Lü ◽  
Bo Lü ◽  
Chang-Xun Dong ◽  
Mei-Sheng Wu
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Tetrahedral Coordination ◽  
One Dimensional ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Tetrahedral Coordination ◽  
Distorted Trigonal Bipyramidal

The three-dimensional coordination polymer poly[[bis(μ3-2-aminoacetato)di-μ-aqua-μ3-(naphthalene-1,5-disulfonato)-hexasilver(I)] dihydrate], {[Ag6(C10H6O6S2)(C2H4NO2)4(H2O)2]·2H2O}n, based on mixed naphthalene-1,5-disulfonate (L1) and 2-aminoacetate (L2) ligands, contains two AgIcentres (Ag1 and Ag4) in general positions, and another two (Ag2 and Ag3) on inversion centres. Ag1 is five-coordinated by three O atoms from oneL1 anion, oneL2 anion and one water molecule, one N atom from oneL2 anion and one AgIcation in a distorted trigonal–bipyramidal coordination geometry. Ag2 is surrounded by four O atoms from twoL2 anions and two water molecules, and two AgIcations in a slightly octahedral coordination geometry. Ag3 is four-coordinated by two O atoms from twoL2 anions and two AgIcations in a slightly distorted square geometry, while Ag4 is also four-coordinated by two O atoms from oneL1 and oneL2 ligand, one N atom from anotherL2 anion, and one AgIcation, exhibiting a distorted tetrahedral coordination geometry. In the crystal structure, there are two one-dimensional chains nearly perpendicular to one another (interchain angle = 87.0°). The chains are connected by water molecules to give a two-dimensional layer, and the layers are further bridged byL1 anions to generate a novel three-dimensional framework. Moreover, hydrogen-bonding interactions consolidate the network.

meso-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)nickel(II) bis[dioxalato(1,10-phenanthroline)chromate(III)] octahydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m815-m817
Author(s):  
Wen-Bo Wang ◽  
Li-Xin Yang ◽  
Yang Lin
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Dimensional Structure ◽  
Planar Geometry ◽  
Water Molecules ◽  
Site Symmetry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Square Planar

The asymmetric unit of the title complex, [meso-Ni(1,7-CT)][Cr(C2O4)2(phen)]2·8H2O (1,7-CT is 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene; phen is 1,10-phenanthroline) or [Ni(C16H32N4)][Cr(C2O4)2(C12H8N2)]2·8H2O, consists of one-half of an [Ni(1,7-CT)]2+ cation, one [Cr(C2O4)2(phen)]− anion and four water molecules of crystallization. The NiII atom (site symmetry \overline{1}) is coordinated by four N atoms from the tetraazamacrocycle in a square-planar geometry, while the CrIII centre has a distorted cis-CrN2O4 octahedral geometry. A network of π–π stacking interactions and O—H...O and N—H...O hydrogen bonds helps the formation of a three-dimensional structure.

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 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.

Hexaaquamagnesium(II) 2-methyl-5-nitrobenzenesulfonate dihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m812-m814 ◽  
Author(s):  
Yong-Rong Xie ◽  
Gen-Wu Ge ◽  
Xiao-Yong Yuan ◽  
Dong-Bei Wan ◽  
Rui-Qing Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Complex Pattern ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions

In the title complex, [Mg(H2O)6](C7H6NO5)2·2H2O, the MgII cation lies on an inversion center and is octahedrally coordinated by six water molecules. The 2-methyl-5-nitrobenzenesulfonate anions do not coordinate to the magnesium, but act as counter-anions. The crystal structure is composed of alternating layers of [Mg(H2O)6]2+ cations and anions. The [Mg(H2O)6]2+ cations, water molecules and anions are connected through a complex pattern of hydrogen-bonding interactions, resulting in a three-dimensional supramolecular network.

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