Bis[N-(8-quinolyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2781-m2781
Author(s):  
Zhongfang Li ◽  
Suwen Wang ◽  
Qian Zhang ◽  
Xianjin Yu
Keyword(s):  
Hydrogen Bond ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Weak Intermolecular Hydrogen Bond

The asymmetric unit of the title compound, [Fe(C15H10N3O)2]ClO4·H2O, contains one iron(III) cation chelated by two N-(8-naphthyl)-2-pyridine-2-carboxamidate ligands via six N atoms, exhibiting an octahedral coordination geometry, a perchlorate anion and a water molecule. The Fe—N bond lengths are in the range 1.880 (3)–1.972 (3) Å. Each ligand is planar (r.m.s. deviations = 0.0314 and 0.0282 Å). The dihedral angle between the two ligand planes is 86.55 (1)°. There is a weak intermolecular hydrogen bond between the water and the perchlorate groups.

scholarly journals Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate

2020 ◽  
Vol 76 (9) ◽  
pp. 1525-1527
Author(s):  
Benjamin E. Rennie ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Π Interactions

In the title compound (systematic name: bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis(binaphthylphosphonito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octahedral coordination geometry. In the crystal, weak C—H...O and C—H...π interactions link the molecules into layers lying parallel to (001). A weak intramolecular C—H...O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent molecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

scholarly journals 2,2′-Bipyridin-1-ium hemioxalate oxalic acid monohydrate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Anna Jezuita
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Oxalic Acids

The asymmetric unit of the title compound, C10H9N2 +·0.5C2O4 2−·C2H2O4·H2O, consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water molecule. One N atom in 2,2′-bipyridine is unprotonated, while the second is protonated and forms an N—H...O hydrogen bond. In the crystal, the anions are connected with surrounding acid molecules and water molecules by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the anions and oxalic acids; their O atoms participate as donors and acceptors, respectively, in O—H...O hydrogen bonds, which form sheets arranged parallel to the ac plane.

scholarly journals Nickel alendronate

2012 ◽  
Vol 68 (6) ◽  
pp. m820-m821 ◽  
Author(s):  
Małgorzata Sikorska ◽  
Maria Gazda ◽  
Jaroslaw Chojnacki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydrothermal Conditions ◽  
Complex Molecules ◽  
Hydrogen Bond System ◽  
Bond System

The title compound {systematic name: bis(μ2-dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)bis[aqua(dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)nickel(II)] dihydrate}, [Ni2(C4H12NO7P2)4(H2O)2]·2H2O, was synthesiized under hydrothermal conditions. Its structure is isotypic with the CoII analogue. The crystal structure is built up from centrosymmetric dinuclear complex molecules and the structure is reinforced by a net of intermolecular O—H...O and N—H...O hydrogen bonds. One water molecule is bound to the NiII atom in the octahedral coordination sphere, while the second is part of the intermolecular hydrogen-bond system.

scholarly journals Crystal structure ofN-carbamothioyl-2-methylbenzamide

2015 ◽  
Vol 71 (6) ◽  
pp. o425-o425 ◽  
Author(s):  
Farook Adam ◽  
Nadiah Ameram ◽  
Wai Mun Tan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C

There are two molecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamothioyl group is 52.31 (7)° and in the other it is 36.16 (6)°. Each molecule features an intramolecular N—H...O hydrogen bond, which generates anS(6) ring and the O and S atoms have anantidisposition. In the crystal, molecules are linked by N—H...S and N—H...O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C—H...O and C—H...S interactions are also observed.

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 Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5)

IUCrData ◽  
2021 ◽  
Vol 6 (5) ◽  
Author(s):  
Yingying Fan ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Porphyrin Core ◽  
Solvent Molecules ◽  
Pyrrole Nitrogen

In the title compound, [FeII(C68H44N12O4)(C4H6N2)2]·C4H6N2·1.5C4H8O, the central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—Np (Np refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—NIm (NIm refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—Np vector are 16.8 (2) and 39.8 (2)°. N—H...N and N—H...O interactions are observed in the crystal structure.

scholarly journals 2-Trifluoromethyl-1H-benzimidazol-3-ium tetrafluoroborate–2-trifluoromethyl-1H-benzimidazole–water (1/1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o1076-o1076 ◽  
Author(s):  
Ming-Liang Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Trifluoromethyl Groups

The asymmetric unit of the title compound, C8H6F3N2+·BF4−·C8H5F3N2·H2O, consists of two 2-trifluoromethylbenzimidazole molecules, each of which is protonated on a 50% basis, one tetrafluoroborate anion and a water molecule. The two 2-trifluoromethylbenzimidazole molecules thus exist as half-neutral half-cation entities. They are linked by N—H...N hydrogen bonds involving the half-occupancy hydrogens in each molecule. The F atoms of one of the trifluoromethyl groups are disordered over two sets of sites [in a 0.518 (14):0.482 (14) ratio], as are the F atoms of the tetrafluoroborate anion [0.507 (14):0.493 (14) ratio]. The water molecule is linked to one of the 2-trifluoromethylbenzimidazole moleculesviaan N—H...O hydrogen bond.

scholarly journals Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. o912-o913 ◽  
Author(s):  
P. S. Manjula ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
K. Byrappa ◽  
S. Madan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking

The title compound, C10H9FN4S, crystallizes with two molecules (AandB) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in moleculeAand 41.1 (3)° in moleculeB. MoleculeAfeatures an intramolecular C—H...S hydrogen bond, which closes anS(6) ring. In the crystal,A+Bdimers linked by pairs of N—H...S hydrogen bonds occur, generatingR22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.

scholarly journals Bis(acetato-κ2 O,O′)(4,4′-dimethyl-2,2′-bipyridine-κ2 N,N′)copper(II) monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m775-m775
Author(s):  
Aphiwat Kaewthong ◽  
Mongkol Sukwattanasinitt ◽  
Nongnuj Muangsin
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Solvent Water Molecule ◽  
Distorted Octahedral Coordination ◽  
Solvent Water ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Cu(C2H3O2)2(C12H12N2)2]·H2O, the CuII atom exhibits a distorted octahedral coordination geometry, defined by two N atoms from one 4,4′-dimethyl-2,2′-bipyridine ligand and four O atoms from two acetate ligands. In the crystal, O—H...O hydrogen bonds are observed between the coordinated carboxylate O atoms and the solvent water molecule.

scholarly journals 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m178-m178 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bond ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Asymmetric Unit ◽  
Solvate Water Molecule ◽  
Lattice Water ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Anionic Species

The asymmetric unit of the title compound (C6H14N2)[CdCl4]·H2O contained one 1,4-diazabicyclo[2.2.2]octane dication, a tetrahedral CdCl42−anion and a lattice water molecule. In the crystal, the solvate water molecule interacts with the cationic and anionic speciesviaN—H...O and O—H...Cl [O...Cl = 3.289 (7) Å] hydrogen-bond interactions, respectively, leading to a layered supramolecular structure extending parallel to (011).

Sign in / Sign up

Export Citation Format

Share Document