scholarly journals Crystal structure of poly[[μ2-diaqua-diaqua-μ2-L-proline-κ2O:O′-strontium] dibromide]

2015 ◽  
Vol 71 (10) ◽  
pp. 1199-1202 ◽  
Author(s):  
Selladurai Sathiskumar ◽  
Thangavelu Balakrishnan ◽  
Kandasamy Ramamurthi ◽  
Subbiah Thamotharan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Direct Interaction ◽  
Water Molecules ◽  
Zwitterionic Form ◽  
Hydrogen Bonding Interactions

In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2}n, the proline molecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The SrIIion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxylate O atoms of the proline ligands, with two bridging [Sr—O range = 2.524 (4)–2.800 (5) Å]. In the crystal, there is no direct interaction between the proline molecules. However, the proline and water molecules associate with the bromide counter-anions through a number of intermolecular O—H...Br and N—H...Br hydrogen-bonding interactions, giving a three-dimensional supramolecular structure.

A three-dimensional coordination polymer based on the Zn4(μ3-OH)2unit: poly[[(μ4-benzene-1,4-dicarboxylato)bis(μ3-benzene-1,4-dicarboxylato)bis(μ3-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]

2015 ◽  
Vol 71 (2) ◽  
pp. 136-139
Author(s):  
Meng Wen ◽  
Zu-Ping Xiao ◽  
Chun-Ya Wang ◽  
Xi-He Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Dicarboxylic Acid ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Form Part

The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene-1,4-dicarboxylic acid (H2bdc) and 1,10-phenanthroline-5,6-dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3-OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2−ligands are fully deprotonated and adopt μ3-κO:κO′:κO′′ and μ4-κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnIIcations, respectively, from two Zn4(OH)2units. The Zn4(OH)2fragment connects six neighbouring tetranuclear units through four μ3-bdc2−and two μ4-bdc2−ligands, forming a three-dimensional framework with uninodal 6-connected α-Po topology, in which the tetranuclear Zn4(OH)2units are considered as 6-connected nodes and the bdc2−ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2unit and are connected to it through hydrogen-bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4-bdc2−ligands.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m761-m763 ◽  
Author(s):  
Yan Jiao ◽  
Zhao-Rui Pan ◽  
Zhi-Jie Fang ◽  
Yi-Zhi Li ◽  
He-Gen Zheng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Acetate Ligand ◽  
Dimensional Network

In the crystal structure of the title compound, [Ni(C6H4N2O4S)(H2O)3]·2.5H2O, the NiII atom is six-coordinated by one 2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetate ligand and three water molecules. Hydrogen-bonding interactions between the coordinated and uncoordinated water molecules and between the water molecules and the organic ligand result in a three-dimensional network structure.

The first three-dimensional FeIII–SrIIheterometallic coordination polymer: poly[[diaquatetrakis(μ3-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (10) ◽  
pp. 903-907 ◽  
Author(s):  
Yongfeng Yang ◽  
Tao Li ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral

The title compound, poly[[diaqua-1κ2O-tetrakis(μ3-pyridine-2,3-dicarboxylato)-2:1:2′κ10N,O2:O2′,O3:O3′;2:1:2′κ8O3:O3′:N,O2-diiron(III)strontium(II)] dihydrate], {[Fe2Sr(C7H3O4)4(H2O)2]·2H2O}n, which has triclinic (P\overline{1}) symmetry, was prepared by the reaction of pyridine-2,3-dicarboxylic acid, SrCl2·6H2O and Fe(OAc)2(OH) (OAc is acetate) in the presence of imidazole in water at 363 K. In the crystal structure, the pyridine-2,3-dicarboxylate (pydc2−) ligand exhibits μ3-η1,η1:η1:η1and μ3-η1,η1:η1,η1:η1coordination modes, bridging two FeIIIcations and one SrIIcation. The SrIIcation, which is located on an inversion centre, is eight-coordinated by six O atoms of four pydc2−ligands and two water molecules. The coordination geometry of the SrIIcation can be best described as distorted dodecahedral. The FeIIIcation is six-coordinated by O and N atoms of four pydc2−ligands in a slightly distorted octahedral geometry. Each FeIIIcation bridges two neighbouring FeIIIcations to form a one-dimensional [Fe2(pydc)4]nchain. The chains are connected by SrIIcations to form a three-dimensional framework. The topology type of this framework istfj. The structure displays O—H...O and C—H...O hydrogen bonding.

scholarly journals Crystal structure of (S)-sec-butylammoniumL-tartrate monohydrate

2017 ◽  
Vol 73 (5) ◽  
pp. 716-719
Author(s):  
Ernlie A. Publicover ◽  
Jennifer Kolwich ◽  
Darcie L. Stack ◽  
Alyssa J. Doué ◽  
Kai E. O. Ylijoki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Tartaric Acid ◽  
Supramolecular Structure ◽  
Interstitial Water ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Molecular Salt

The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, was prepared by deprotonation of enantiopure L-tartaric acid with racemicsec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with L-tartaric acid. Thesec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH2bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H...O and N—H...O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular 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)].

scholarly journals Crystal structure ofcatena-poly[[bis(N-acethylthiomorpholine-κS)copper(I)]-μ-iodido]

2017 ◽  
Vol 73 (1) ◽  
pp. 53-55
Author(s):  
Hojae Chiang ◽  
Tae Ho Kim ◽  
Hyunjin Park ◽  
Jineun Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Tetrahedral Environment

The reaction of copper(I) iodide withN-acetylthiomorpholine (L, C6H11NOS) in acetonitrile results in a coordination polymer with composition [CuI(L)2]n. The CuIatom is coordinated by two S atoms and two I atoms, adopting a distorted tetrahedral environment. The μ2-bridging mode of the I atoms gives rise to chains extending parallel to [010]. C—H...O hydrogen-bonding interactions between the chains lead to a three-dimensional network.

scholarly journals catena-Poly[[bis{2-[3-(carboxymethyl)adamantan-1-yl]acetato-κ2O,O′}cadmium(II)]-μ-N,N′-bis(pyridine-4-carboxamido)piperazine-κ2N:N′]

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Jamelah Z. Travis ◽  
Robert L. LaDuca
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Title Compound ◽  
Three Dimensional ◽  
Polymer Chains ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Dimensional Crystal

In the title compound, [Cd(C14H19O4)2(C16H16N4O2)]n, the CdIIcation is coordinated in a distorted octahedral fashion bytranspyridyl N-atom donors from twoN,N′-bis(pyridine-4-carboxamido)piperazine (bpcp) ligands, and chelating carboxylate groups from two 2-[3-(carboxymethyl)adamantan-1-yl]acetate ligands. [Cd(adaH)(bpcp)]ncoordination polymer chains are oriented along [-111] and aggregate into supramolecular layers parallel to (122) by O—H...O hydrogen-bonding interactions. The supramolecular three-dimensional crystal structure is then constructed by interlayer C—H...O non-classical interactions. The O atoms of one of the carboxylate groups were refined as disordered over two sets of sites, with occupancies 0.553 (7) and 0.447 (7).

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.

scholarly journals Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1599-1602 ◽  
Author(s):  
Matimon Sangsawang ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Carboxylate Groups ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Coordinate Geometry

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]nor [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaIheterobimetallic coordination polymer. The asymmetric unit consists of one CdIIatom, two NaIatoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdIIatom exhibits a seven-coordinate geometry, while the NaIatoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connectedviachelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

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