scholarly journals Crystal structure of poly[μ6-adipato-diaquadi-μ2-oxalato-didysprosium(III)]

2014 ◽  
Vol 70 (12) ◽  
pp. m399-m400
Author(s):  
Zhi-Feng Li ◽  
Yi-Chao Zhang ◽  
Xiao-Qin Hu ◽  
Chun-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Aqua Ligand ◽  
Three Dimensions ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Trigonal Prismatic

In the title coordination polymer, [Dy2(C6H8O4)(C2O4)2(H2O)2]n, the asymmetric unit consists of one Dy3+cation, one half of an adipate anion, two halves of oxalate anions and one coordinating water molecule. The adipate and oxalate ions are located on centres of inversion. The Dy3+cation has a distorted tricapped trigonal–prismatic geometry and is coordinated by nine O atoms, four belonging to three adipate anions, four to two oxalate anions and one from an aqua ligand. The cations are bridged by adipate ligands, generating a two-dimensional network parallel to (010). This network is further extended into three dimensions by coordination of the rigid oxalate ligands and is further consolidated by O—H...O hydrogen bonds. A part of the adipate anion is disordered over two positions in a 0.75:0.25 ratio.

A new two-dimensional CdIIcoordination polymer based on 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole and benzene-1,2-dicarboxylate: synthesis, crystal structure and characterization

2017 ◽  
Vol 73 (10) ◽  
pp. 828-832 ◽  
Author(s):  
Huai-Xia Yang ◽  
Yan-Qiu Yang ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Xiang-Ru Meng
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Spectroscopic Properties ◽  
Organic Ligands ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Ir Spectroscopic

In the construction of coordination polymers, many factors can influence the formation of the final architectures, such as the nature of the metal centres, the organic ligands and the counter-anions. In the coordination polymer poly[aqua(μ-benzene-1,2-dicarboxylato-κ4O1,O1′:O2,O2′)[μ-2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole-κ2N2:N3]cadmium(II)], [Cd(C12H12N4)(C8H4O4)(H2O)]nor [Cd(immb)(1,2-bdic)(H2O)]n, each CdIIion is seven-coordinated by two N atoms from two symmetry-related 2-(1H-imidazol-1-ylmethyl)-6-methyl-1H-benzimidazole (immb) ligands, by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic2−) ligands and by one water molecule, leading to a CdN2O5distorted pentagonal bipyramidal coordination environment. The immb and 1,2-bdic2−ligands bridge CdIIions and form a two-dimensional network structure. O—H...O and N—H...O hydrogen bonds stabilize the structure. In addition, the IR spectroscopic properties, PXRD patterns, thermogravimetric behaviour and fluorescence properties of the title polymer have been investigated.

scholarly journals Crystal structure of the BaII-based CoII-containing one-dimensional coordination polymer poly[[aqua{μ4-2,2′-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4H-pyran-3-olato)}perchloratocobaltbarium] perchlorate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1806-1811 ◽  
Author(s):  
Paola Paoli ◽  
Eleonora Macedi ◽  
Patrizia Rossi ◽  
Luca Giorgi ◽  
Mauro Formica ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Macrocyclic Ligand ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

The title compound, {[Ba{Co(H-2L1)}(ClO4)(H2O)]ClO4}n,L1 =4,10-bis[(3-hydroxy-4-pyron-2-yl)methyl]-1,7-dimethyl-1,4,7,10-tetraazacyclododecane, is a one-dimensional coordination polymer. The asymmetric unit consists of a {Ba[Co(H–2L1)](ClO4)(H2O)}+cationic fragment and a non-coordinating ClO4−anion. In the neutral [Co(H–2L1)] moiety, the cobalt ion is hexacoordinated in a trigonal–prismatic fashion by the surrounding N4O2donor set. The Ba2+ion is nine-coordinated and exhibits a distorted [BaO9] monocapped square-antiprismatic geometry, the six oxygen atoms coming from three distinct [Co(H–2L1)] moieties, while the remaining three vertices are occupied by the oxygen atoms of a bidentate perchlorate anion and a water molecule. A barium–μ2-oxygen motif develops along theaaxis, connecting symmetry-related dinuclear BaII–CoIIcationic fragments in a wave-like chain, forming a one-dimensional metal coordination polymer. Non-coordinating ClO4−anions are located in the space between the chains. Weak C—H...O hydrogen bonds involving both coordinating and non-coordinating perchlorate anions build the whole crystal architecture. To our knowledge, this is the first example of a macrocyclic ligand forming a BaII-based one-dimensional coordination polymer, containing CoIIions surrounded by a N4O2donor set.

scholarly journals Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ3O,O′:O′′)(2-carboxyacetato-κO)di-μ-chlorido-dicobalt(II)]

2016 ◽  
Vol 72 (1) ◽  
pp. 21-24
Author(s):  
Yasmina Bouaoud ◽  
Zouaoui Setifi ◽  
Andrii Buvailo ◽  
Vadim A. Potaskalov ◽  
Hocine Merazig ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Two Dimensional ◽  
Acid Molecule ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Dinuclear Unit

The asymmetric unit of the title polymer, [Co2(C3H3O4)2Cl2(H2O)2]n, comprises one CoIIatom, one water molecule, one singly deprotonated malonic acid molecule (HMal−; systematic name 2-carboxyacetate) and one Cl−anion. The CoIIatom is octahedrally coordinated by the O atom of a water molecule, by one terminally bound carboxylate O atom of an HMal−anion and by two O atoms of a chelating HMal−anion, as well as by two Cl−anions. The Cl−anions bridge two CoIIatoms, forming a centrosymmetric Co2Cl2core. Each malonate ligand is involved in the formation of six-membered chelate rings involving one CoIIatom of the dinuclear unit and at the same time is coordinating to another CoIIatom of a neighbouring dinuclear unit in a bridging mode. The combination of chelating and bridging coordination modes leads to the formation of a two-dimensional coordination polymer extending parallel to (001). Within a layer, O—Hwater...Cl and O—Hwater...O hydrogen bonds are present. Adjacent layers are linked through O—H...O=C hydrogen bonds involving the carboxylic acid OH and carbonyl groups.

A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ4-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1H-benzimidazole]tricadmium(II)

2015 ◽  
Vol 71 (5) ◽  
pp. 369-373 ◽  
Author(s):  
Xiu-Hong Yang ◽  
Ming-Xing Yang ◽  
Li-Juan Chen ◽  
Jing Guo ◽  
Shen Lin
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Aqua Ligand ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Dimensional Network ◽  
Rotationally Symmetric ◽  
Coordinated Water

The title compound, [Cd3(C8H10O4)3(C12H9N3)2(H2O)2]nor [Cd3(chdc)3(4-PyBIm)2(H2O)2]n, was synthesized hydrothermally from the reaction of Cd(CH3COO)2·2H2O with 2-(pyridin-4-yl)-1H-benzimidazole (4-PyBIm) and cyclohexane-1,4-dicarboxylic acid (1,4-chdcH2). The asymmetric unit consists of one and a half CdIIcations, one 4-PyBIm ligand, one and a half 1,4-chdc2−ligands and one coordinated water molecule. The central CdIIcation, located on an inversion centre, is coordinated by six carboxylate O atoms from six 1,4-chdc2−ligands to complete an elongated octahedral coordination geometry. The two terminal rotationally symmetric CdIIcations each exhibits a distorted pentagonal–bipyramidal geometry, coordinated by one N atom from 4-PyBIm, five O atoms from three 1,4-chdc2−ligands and one O atom from an aqua ligand. The 1,4-chdc2−ligands possess two conformations,i.e.e,e-trans-chdc2−ande,a-cis-chdc2−. Thecis-1,4-chdc2−ligands bridge the CdIIcations to form a trinuclear {Cd3}-based chain along thebaxis, while thetrans-1,4-chdc2−ligands further link adjacent one-dimensional chains to construct an interesting two-dimensional network.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Crystal structure of an organic–inorganic supramolecular salt based on a 4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium) cation and a β-octamolybdate anion

2016 ◽  
Vol 72 (2) ◽  
pp. 124-127 ◽  
Author(s):  
Tatiana R. Amarante ◽  
Isabel S. Gonçalves ◽  
Filipe A. Almeida Paz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, bis[4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium)] β-octamolybdate, (C11H18N4)2[Mo8O26] or (H4mbdpz)2[Mo8O26], is composed of an H4mbdpz2+cation and half of the β-octamolybdate anion which is completed by inversion symmetry. The organic molecular units are engaged in a series of N—H...O hydrogen bonds with neighbouring anions, with N...O distances and N—H...O angles in the ranges 2.730 (2)–2.941 (2) Å and 122–166°, respectively. These interactions lead to the formation of a supramolecular two-dimensional network parallel to the (010) plane.

scholarly journals The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate

2017 ◽  
Vol 73 (7) ◽  
pp. 927-931 ◽  
Author(s):  
C. S. Chidan Kumar ◽  
Ai Jia Sim ◽  
Weng Zhun Ng ◽  
Tze Shyang Chia ◽  
Wan-Sin Loh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (AandB) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° inAandB, respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å inAand 3.8182 (14) Å inB].

(E)-4,4′-Ethylenedipyridinium bis{[(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-4-yl)acetamido]acetate} dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1696-o1698
Author(s):  
Xiao-Qing Cai ◽  
Mao-Lin Hu ◽  
Shilin Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Acetate Anion ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
Acetate Dihydrate ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, C10H9N2 2+·2C6H4FN2O4 −·2H2O, consists of one half of the (E)-4,4′-ethylenedipyridinium cation, one [(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-4-yl)acetamido]acetate anion and one water molecule, the complete formula unit being generated by a crystallographic inversion centre at the mid-point of the central C=C bond of the (E)-4,4′-ethylenedipyridinium cation. In the crystal structure, a three-dimensional network is formed via N—H...O and O—H...O hydrogen bonds.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

scholarly journals Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione

2015 ◽  
Vol 71 (9) ◽  
pp. 1000-1002
Author(s):  
Esra Turan Akın ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Membered Ring ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Atoms ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent molecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059 Å). In each molecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C—H...O hydrogen bond links the two independent molecules. In the crystal, weak C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001).

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