scholarly journals Crystal structure of diaquatris(benzohydrazide-κ2 N,O)(isophthalato-κO)samarium(III) nitrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1691-1694
Author(s):  
Chatphorn Theppitak ◽  
Filip Kielar ◽  
Kittipong Chainok
Keyword(s):  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Π Interactions ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

The first benzohydrazide complex of a lanthanide is reported. In the title compound, [Sm(C8H4O4)(C7H8N2O)3(H2O)2]NO3, systematic name diaquatris(benzohydrazide-κ2 N,O)(isophthalato-κO)samarium(III) nitrate, the SmIII ion is nine-coordinated in a distorted tricapped trigonal–prismatic geometry by three oxygen atoms and three nitrogen atoms from three benzhydrazide (bzz) ligands, one oxygen atom from the isophthalate (itp2−) ligand, and two oxygen atoms from coordinated water molecules. The nitrate group is disordered over two sets of sites with occupancy factors of 0.310 (17) and 0.690 (17). In the crystal, adjacent molecules are linked into chains via pairs of O—H...O and N—H...O hydrogen bonds between the carboxylate acceptor and the coordinated water and amine NH2 donors. Molecules are further stacked by π–π interactions involving the benzene ring of the itp2− ligands, forming double chains that extend in the b-axis direction. These double chains are further linked into a three-dimensional supramolecular network via hydrogen bonds (O—H...O, N—H...O and C—H...O) between the complex molecule and the nitrate groups along with C—H...π and π–π interactions involving the benzene rings of the bzz and itp2− ligands.

scholarly journals Diaquadichloridobis[quinazolin-4(1H)-one-κN 3]nickel(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m724-m724
Author(s):  
Shirin Shomurotova ◽  
Kambarali K. Turgunov ◽  
Nasir Mukhamedov ◽  
Bakhodir Tashkhodjaev
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Inversion Center ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Centroid Distance ◽  
Benzene Rings

In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water molecules. The water molecules are involved in intra- and intermolecular O—H...O and O—H...Cl hydrogen bonding. Intermolecular N—H...O and N—H...Cl hydrogen bonds are formed between ligands. In addition, weak π–π interactions are observed between the benzene rings of the ligands [centroid–centroid distance = 3.580 (3) Å]. The intermolecular hydrogen bonds and π–π interactions lead to the formation of a three-dimensional supramolecular network.

scholarly journals Crystal structure of poly[[hexaaquatris(μ-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)dierbium(III)] octadecahydrate]

2019 ◽  
Vol 75 (1) ◽  
pp. 64-67
Author(s):  
Nutcha Ponjan ◽  
Kenika Kodchasanthong ◽  
Suwadee Jiajaroen ◽  
Kittipong Chainok
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Lanthanide Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Coordinated Water ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

The title lanthanide complex, [Er2(C6H2O4)3(H2O)6]·18H2O, is isostructural with its La, Gd, Yb and Lu analogues. The Er3+ ion, located on a threefold rotation axis, is nine-coordinated in a distorted tricapped trigonal–prismatic geometry, which is completed by six oxygen atoms from three dhbq2− ligands and three oxygen atoms from coordinated water molecules. Each dhbq2− ligand acts in a μ2-bis(bidentate) bridging mode to connect two Er3+ ions to form honeycomb (6,3) two-dimensional sheets extending in the ab plane, having an Er...Er separation of 8.7261 (2) Å. In the crystal, extensive O—H...O hydrogen-bonding interactions involving the coordinated water molecules and the water molecules of crystallization, as well as the oxygen atoms of the dhbq2− ligands, generate an overall 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.

scholarly journals Crystal structure ofcatena-poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] bis(p-toluenesulfonate) methanol disolvate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1977-1980
Author(s):  
Volodymyr M. Hiiuk ◽  
Diana D. Barakhty ◽  
Sergiu Shova ◽  
Ruslan A. Polunin ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Polymeric Complex ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Coordinated Water

In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH}n, the FeIIcation, located on an inversion centre, is coordinated by four water molecules in the equatorial positions and two 1,2-bis(pyridin-4-yl)ethene molecules in the axial positions. This results in a distorted octahedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis(pyridin-4-yl)ethene molecules bridge the FeIIcations, forming polymeric chains running along thea-axis direction. Stabilization of the crystal structure is provided by O—H...O hydrogen bonds; these are formed by coordinated water molecules as donors towards the O atoms of the methanol molecules and tosylate anions as acceptors of protons, leading to the formation of a three-dimensional supramolecular network. Weak C—H...O hydrogen bonds are also observed in the crystal.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals 3,5-Diamino-4H-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Sanae Lahmidi ◽  
El Mokhtar Essassi ◽  
Mohammed Benchidmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Salt Hydrate ◽  
Π Interactions ◽  
Benzene Rings ◽  
The Mean

The crystal of the title salt hydrate, C2H6N5+·C7H4NO4−·2H2O, is built up from a 3,5-diamino-4H-1,2,4-triazol-1-ium cation linked to a 4-nitrobenzoate anion and to two water molecules through strong hydrogen bonds. The triazolyl ring is virtually planar, with the maximum deviation from the mean plane being 0.003 (1) Å. Small twists are noted in the anion with the dihedral angles between the ring and carboxylate and nitro groups being 7.82 (13) and 9.10 (15)°, respectively. In the crystal, molecules are linked by N—H...O, N—H...N, O—H...O and C—H...O interactions, forming layers parallel to (-101). The sheets are linked by O—H...O hydrogen bonds and π–π interactions between triazole and benzene rings [inter-centroid separation = 3.4967 (8) Å] to form a three-dimensional structure.

Poly[diaquadi-μ6-succinato-μ5-succinato-dierbium(III)]

2006 ◽  
Vol 62 (4) ◽  
pp. m738-m740 ◽  
Author(s):  
Gui-Ying Dong ◽  
Guang-Hua Cui ◽  
Jin Lin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Trigonal Prismatic Coordination ◽  
Coordinated Water ◽  
Trigonal Prismatic

In the title compound, [Er2(C4H4O4)3(H2O)2] n , the asymmetric unit consists of two ErIII cations, three succinate anions and two coordinated water molecules. Both ErIII ions are in a tricapped trigonal–prismatic coordination environment. The Er atoms are bridged into a three-dimensional framework by succinate anions, which exhibit anti and gauche conformations with different coordination modes. The crystal structure is stabilized by O—H...O hydrogen bonds [O...O = 2.715 (8)–2.936 (8) Å].

scholarly journals Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (Ln III = Tb and Dy)

2018 ◽  
Vol 74 (4) ◽  
pp. 535-538 ◽  
Author(s):  
Chihiro Kachi-Terajima ◽  
Norihisa Kimura
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Lanthanide Complexes ◽  
Three Dimensional ◽  
Lanthanide Ions ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Lanthanide Ion ◽  
Π Interactions ◽  
Coordinated Water

The title lanthanide complexes, [Ln(DAPBH2)(CH3OH)(H2O)3]Cl3·2CH3OH [Ln III = Tb and Dy; DAPBH2 = 2,6-diacetylpyridine bis(benzoylhydrazone), C23H21N5O2], are isotypic. The central lanthanide ions are nine-coordinate, being ligated by three N and two O atoms from the pentadentate DAPBH2 ligand, and four O atoms from the coordinated methanol molecule and three coordinated water molecules. The coordination geometry of the lanthanide ion is a distorted capped square antiprism. In the crystals, the various components are linked by O—H...Cl, N—H...Cl and O—H...O hydrogen bonds, forming three-dimensional supramolecular frameworks. Within the frameworks, there are C—H...Cl and C—H...O hydrogen bonds and offset π–π interactions (intercentroid distance ca 3.81 Å).

scholarly journals cis-Tetraaquabis{5-[4-(1H-imidazol-1-yl-κN3)phenyl]tetrazolido}manganese(II) dihydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m433-m434 ◽  
Author(s):  
Shao-Wei Tong ◽  
Wen-Dong Song ◽  
Dong-Liang Miao ◽  
Shi-Jie Li ◽  
Jing-Bo An
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Complex Molecules ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Ring Centroid

In the title compound, [Mn(C10H7N6)2(H2O)4]·2H2O, the Mn2+lies on a twofold rotation axis and is six-coordinated by two N atoms from thecis-related monodentate 5-[4-(imidazol-1-yl)phenyl]tetrazolide ligands and four O atoms from the coordinated water molecules. The complex molecules are connectedviawater O—H...O and O—H...N hydrogen bonds and weak π–π stacking interactions between the benzene rings [minimum ring centroid separation = 3.750 (6) Å] into a three-dimensional polymeric structure. The imidazolyl group of the ligand is partially disordered over two sets of sites with refined occupancies of 0.531 (7):0.469 (7).

scholarly journals Crystal structure of bis[4-(dimethylamino)pyridinium] bis(2-nitrobenzoate) trihydrate

2014 ◽  
Vol 70 (10) ◽  
pp. 221-223 ◽  
Author(s):  
N. Sivakumar ◽  
S. Muralidharan ◽  
G. Chakkaravarthi ◽  
D. Velmurugan ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Benzene Rings

The title salt, 2C7H11N2+·2C7H4NO4−·3H2O, crystallized with two anions and two cations in the asymmetric unit, together with three water molecules. Both 4-dimethylaminopyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH3)2hetero atoms inclined to the pyridine ring by 4.5 (2) and 1.4 (2)°. In the 2-nitrobenzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1 (3) and 20.0 (3)°, and 75.8 (2) and 20.9 (3)°. In the crystal, the anions are linkedviaO—H...O hydrogen bonds involving the water molecules, forming chains along [100]. The cations are linked to these chains by N—H...O hydrogen bonds. The chains are linkedviaC—H...O hydrogen bonds and C—H...π and π–π interactions [inter-centroid distances range from 3.617 (1) to 3.851 (1) Å], forming a three-dimensional structure.

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