scholarly journals fac-Bis[bis(pyridin-2-yl)methanamine]iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Zouaoui Setifi ◽  
Sylvain Bernès ◽  
Fatima Setifi ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Hydrated Complex ◽  
Amine Groups

The hydrated complex [Fe(DIPA)2](tcnoet)2·2H2O [DIPA is bis(pyridin-2-yl)methanamine, C11H11N3, and tcnoet is the anion 1,1,3,3-tetracyano-2-ethoxypropenide, C9H5N4O−], crystallizes with the [Fe(DIPA)2]2+ cation located on an inversion centre. The coordination geometry for FeII is strongly distorted from octahedral, as a consequence of the bite angles formed by the tridentate DIPA ligand. The water molecules included in the voids left by the cations and anions form hydrogen bonds with the cyano and amine groups.

scholarly journals Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1295-1298
Author(s):  
Jan Fábry
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Secondary Amine ◽  
Symmetry Plane ◽  
Structural Features ◽  
Water Molecules ◽  
Amine Groups

Two of the constituent molecules in the title structure, 2C6H7N2O+·HPO3 2−·H2O, i.e. the phosphite anion and the water molecule, are situated on a symmetry plane. The molecules are held together by moderate N—H...O and O—H...N, and weak O—H...O and C—H...Ocarbonyl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

scholarly journals Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

scholarly journals Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}

2012 ◽  
Vol 68 (6) ◽  
pp. m847-m848
Author(s):  
Mei Zhang ◽  
Fu-Yu Sun ◽  
Gui-Zhe Zhao ◽  
Ya-Qing Liu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the dinuclear title compound, [Na2(C13H15ClN5O5S)2(H2O)6] n , two Na+ cations, disposed about a centre of inversion, are linked by two bridging water molecules. The coordination geometry is based on an O5 donor set defined by four water molecules and a 4-aminobenzenesulfonate O atom in a distorted trigonal–bipyramidal geometry. In the crystal, significant O—H...O, O—H...N and N—H...O hydrogen bonds lead to the formation of a three-dimensional architecture.

A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ4O2,N,O6:O6′;κ4O2:O2′,N,O6-bis[(azido-κN)(1,10-phenanthroline-κ2N,N′)bismuth(III)] tetrahydrate

2014 ◽  
Vol 70 (6) ◽  
pp. 562-565 ◽  
Author(s):  
Wei Zhang ◽  
Yu-Quan Feng
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Coordination Compound ◽  
Photoelectron Spectroscopy ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray

A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR, X-ray photoelectron spectroscopy and single-crystal X-ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each BiIIIcentre is seven-coordinated by three O atoms and four N atoms. The coordination geometry of each BiIIIatom is distorted pentagonal–bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembledviaO—H...O hydrogen bonds, resulting in the formation of a three-dimensional supramolecular structure. Two types of π–π stacking interactions are found, with centroid-to-centroid distances of 3.461 (4) and 3.641 (4) Å.

scholarly journals Diaquabis[4-(dimethylamino)pyridine-κN 1]bis[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetato-κO 1]cobalt(II)

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Naouel Makouf ◽  
Aziza Chouiter ◽  
Henia Bouzidi Mousser ◽  
Amel Djedouani ◽  
Solenne Fleutot ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Title Complex ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Coordination Water

In the mononuclear title complex, [Co(C10H6NO4)2(C7H10N2)2(H2O)2], the CoII ion is located on an inversion centre and has a distorted octahedral coordination geometry of type CoN2O4 by two N atoms from the two 4-(dimethylamino)pyridine (DMAP) ligands, two carboxylate O atoms from the two deprotonated N-phthaloylglycine (Nphgly) ligands [systematic name: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate] and two coordination water molecules. In the crystal, O—H...O, C—H...O hydrogen bonds and π–π stacking interactions link the molecules into the supramolecular structure.

scholarly journals [rac-1,8-Bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane]copper(II) diacetate tetrahydrate: crystal structure and Hirshfeld surface analysis

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Sabina Yasmin ◽  
Saswata Rabi ◽  
Avijit Chakraborty ◽  
Huey Chong Kwong ◽  
Edward R. T. Tiekink ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Complex Salt ◽  
Hirshfeld Surface ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Hirshfeld Surfaces ◽  
The Individual ◽  
Water Hydrogen

The title CuII macrocyclic complex salt tetrahydrate, [Cu(C22H46N6O2)](C2H3O2)2·4H2O, sees the metal atom located on a centre of inversion and coordinated within a 4 + 2 (N4O2) tetragonally distorted coordination geometry; the N atoms are derived from the macrocycle and the O atoms from weakly associated [3.2048 (15) Å] acetate anions. Further stability to the three-ion aggregate is provided by intramolecular amine-N—H...O(carboxylate) hydrogen bonds. Hydrogen bonding is also prominent in the molecular packing with amide-N—H...O(amide) interactions, leading to eight-membered {...HNCO}2 synthons, amide-N—H...O(water), water-O—H...O(carboxylate) and water-O—H...O(water) hydrogen bonds featuring within the three-dimensional architecture. The calculated Hirshfeld surfaces for the individual components of the asymmetric unit differentiate the water molecules owing to their distinctive supramolecular association. For each of the anion and cation, H...H contacts predominate (50.7 and 65.2%, respectively) followed by H...O/O...H contacts (44.5 and 29.9%, respectively).

scholarly journals Bis(4′-chloro-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)ruthenium(II) dichloride dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m777-m778 ◽  
Author(s):  
Ying Wang ◽  
Rui Jiao ◽  
Xiang-Lei Qiu ◽  
Jian Wang ◽  
Wei Huang
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Terpyridine Ligands

In the cation of the title compound, [Ru(C15H10ClN3)2]Cl2·2H2O, the metal atom exhibits a distorted octahedral coordination geometry provided by the N atoms of two tridentate terpyridine ligands. The ligands are approximately planar [maximum deviation = 0.156 (5) Å] and form a dihedral angle of 87.0 (3)°. In the crystal, the cations, anions and water molecules are linked into a three-dimensional network by C—H...Cl, C—H...O and O—H...Cl hydrogen bonds.

Das Hydrogendiarsenit-Anion HAs2O53- Darstellung und Struktur von K3HAs2O5 • 6 H2O / The Hydrogendiarsenite Anion HAs2O53- Preparation and Structure of K3HAs2O5-6 H2O

1985 ◽  
Vol 40 (12) ◽  
pp. 1622-1625 ◽  
Author(s):  
W. S. Sheldrick ◽  
H.-J. Häusler
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Crystal Lattice ◽  
Water Molecules ◽  
Coordination Geometry ◽  
X Ray ◽  
Lone Pairs

Abstract K3HAs2O5-6H2O 1 has been crystallised from aqueous solution and its crystal structure established by X-ray analysis. 1 contains isolated hydrogendiarsenite anions HAs2O53-, composed of two corner-sharing ψ -AsO3-tetrahedra. The anion displays the semi-eclipsed conformation in which the lone-pairs on the As atoms take up a syn-position with respect to an As-O bond on the opposite As atom. As a result the pyramidal coordination geometry of the As atoms is considerably distorted. The HAs2O53- anions in the crystal lattice are linked via O - H ··· O hydrogen bonds into infinite chains parallel to the b-axis, which are surrounded by water molecules of crystallisation

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).

A new one-dimensional CdII coordination polymer incorporating 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)

2018 ◽  
Vol 74 (10) ◽  
pp. 1128-1132 ◽  
Author(s):  
Yan-Ju Liu ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Jun-Di Zhang ◽  
Huai-Xia Yang
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
The One

Imidazole-4,5-dicarboxylic acid (H3IDC) and its derivatives are widely used in the preparation of new coordination polymers owing to their versatile bridging coordination modes and potential hydrogen-bonding donors and acceptors. A new one-dimensional coordination polymer, namely catena-poly[[diaquacadmium(II)]-μ3-2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylato)], [Cd(C16H6N4O8)0.5(H2O)2] n or [Cd(H2Phbidc)1/2(H2O)2] n , has been synthesized by the reaction of Cd(OAc)2·2H2O (OAc is acetate) with 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, one type of Cd ion (Cd1) is six-coordinated by two N atoms and two O atoms from one H2Phbidc4− ligand and by two O atoms from two water molecules, forming a significantly distorted octahedral CdN2O4 coordination geometry. In contrast, the other type of Cd ion (Cd2) is six-coordinated by two N atoms and two O atoms from two symmetry-related H2Phbidc4− ligands and by two O atoms from two symmetry-related water molecules, leading to a more regular octahedral coordination geometry. The Cd1 and Cd2 ions are linked by H2Phbidc4− ligands into a one-dimensional chain which runs parallel to the b axis. In the crystal, the one-dimensional chains are connected through hydrogen bonds, generating a two-dimensional layered structure parallel to the ab plane. Adjacent layers are further linked by hydrogen bonds, forming a three-dimensional structure in the solid state.

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