scholarly journals Crystal structure of tris(trans-1,2-diaminocyclohexane-κ2N,N′)cobalt(III) trichloride monohydrate

2016 ◽  
Vol 72 (1) ◽  
pp. 49-52
Author(s):  
Megan K. Gallagher ◽  
Allen G. Oliver ◽  
A. Graham Lappin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Outer Sphere ◽  
Complex Salt ◽  
Coordination Complexes ◽  
Water Molecules ◽  
Rotation Symmetry ◽  
Space Group ◽  
Solvent Water ◽  
Counter Ions

The synthesis of the title hydrated complex salt, [Co(C6H14N2)3]Cl3·H2O, from racemictrans-1,2-diaminocyclohexane and [CoCl(NH3)5]Cl2and its structural characterization are presented in this paper. The product was synthesized in the interest of understanding the hydrogen-bonding patterns of coordination complexes. Previous characterizations of the product in theI-42dspace group have not yielded coordinates; thus, this paper provides the first coordinates for this complex in this space group. The octahedrally coordinated cation adopts twofold rotation symmetry, with outer-sphere chloride counter-ions and solvent water molecules forming a hydrogen-bonded network with amine H atoms.

Structure–activity studies of β-carbolines. 1. Molecular structure and conformation of cis-3-carboxylic acid-1,2,3,4-tetrahydroharmane dihydrate

1983 ◽  
Vol 61 (3) ◽  
pp. 529-532 ◽  
Author(s):  
Penelope W. Codding
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzodiazepine Receptor ◽  
Chair Conformation ◽  
Water Molecules ◽  
Space Group ◽  
Structure Activity ◽  
Packing Arrangement

The crystal structure of cis-3-carboxylic acid-1,2,3,4-tetrahydroharmane dihydrate, C13H13N2O2•2H2O, a putative ligand of the benzodiazepine receptor is reported. The space group is P21/c with a = 14.850(4), b = 6.560(3), c = 14.746(4) Å and β = 117.411(8)°, Z = 4. The molecule crystallizes as a zwitterion with the unsaturated ring in a half-chair conformation. Hydrogen bonding to the water molecules included in the lattice determines the molecular packing arrangement.

Synthesis and crystal structure of a 3D copper(II)–silver(I) coordination polymer assembled through hydrogen bonding, π–π stacking and metal–π interactions, {[Cu(phen)2(CN)][Ag(CN)2] · 3H2O}n (phen = 1,10-phenanthroline)

2015 ◽  
Vol 70 (7) ◽  
pp. 455-459 ◽  
Author(s):  
Sidra Nawaz ◽  
Tobias Rüffer ◽  
Heinrich Lang ◽  
Muhammad Ashraf Shaheen ◽  
Saeed Ahmad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Polymeric Complex ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Π Interactions ◽  
3D Network

AbstractA copper(II) polymeric complex {[Cu(phen)2(CN)][Ag(CN)2] · 3H2O}n, 1 (phen = 1,10-phenanthroline), has been prepared and structurally characterized. The compound crystallizes in the monoclinic space group P21/c with [Cu(phen)2(CN)]+ and [Ag(CN)2]− units and three water molecules. The cationic and anionic units are linked to each other through M-π and π–π interactions. The array is extended further by hydrogen bonding and π–π interactions to form a 3D network.

scholarly journals Three salts from the reactions of cysteamine and cystamine withL-(+)-tartaric acid

2013 ◽  
Vol 69 (6) ◽  
pp. 658-664 ◽  
Author(s):  
Amina Benylles ◽  
Donald Cairns ◽  
Philip J. Cox ◽  
Graeme Kay
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Tartaric Acid ◽  
Three Dimensional ◽  
Water Molecules ◽  
Amino Groups ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Hydrogen Bonding Networks

Reaction between cysteamine (systematic name: 2-aminoethanethiol, C2H7NS) and L-(+)-tartaric acid [systematic name: (2R,3R)-2,3-dihydroxybutanedioic acid, C4H6O6] results in a mixture of cysteamine tartrate(1−) monohydrate, C2H8NS+·C4H5O6−·H2O, (I), and cystamine bis[tartrate(1−)] dihydrate, C4H14N2S22+·2C4H5O6−·2H2O, (III). Cystamine [systematic name: 2,2′-dithiobis(ethylamine), C4H12N2S2], reacts with L-(+)-tartaric acid to produce a mixture of cystamine tartrate(2−), C4H14N2S22+·C4H4O62−, (II), and (III). In each crystal structure, the anions are linked by O—H...O hydrogen bonds that run parallel to theaaxis. In addition, hydrogen bonding involving protonated amino groups in all three salts, and water molecules in (I) and (III), leads to extensive three-dimensional hydrogen-bonding networks. All three salts crystallize in the orthorhombic space groupP212121.

scholarly journals Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data

2017 ◽  
Vol 73 (1) ◽  
pp. 72-75 ◽  
Author(s):  
Dohyun Moon ◽  
Masahiro Takase ◽  
Takashiro Akitsu ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Complex Salt ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Rotation Symmetry ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.

The Preparation and Crystal Structure of Ammonium Bismuth(III) Thiosalicylate Dihydrate

2003 ◽  
Vol 56 (9) ◽  
pp. 941 ◽  
Author(s):  
Dalius S. Sagatys ◽  
Graham Smith ◽  
Raymond C. Bott ◽  
Peter C. Healy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecules ◽  
Polymeric Structure ◽  
Lattice Water ◽  
Thiosalicylic Acid ◽  
Counter Ions ◽  
Distorted Octahedral ◽  
Bidentate Complex

The bismuth(III) complex of thiosalicylic acid (2-mercaptobenzoic acid; H2L), ammonium tris(2-mercaptobenzoato-O,S) bismuth(III) dihydrate, {(NH4)3[Bi(L)3]·2 H2O}, has been prepared and its crystal structure determined. The distorted octahedral tris-bidentate complex unit has pseudo-C3 symmetry with the facially related thiolate sulfur donors providing a regular facial cap to the octahedron (Bi–S 2.595, 2.596, 2.596(5) Å) with the Bi–O(carboxylate) distances less regular (2.715, 2.741, 2.785(15) Å). The network polymeric structure is stabilized by hydrogen-bonding associations through both the ammonium counter ions and the lattice water molecules.

Aminosulfonic acids. Part 1. Crystal structures of N-methylaminomethanesulfonic acid, MeNHCH2SO3H, and disodium N-methyliminobis(methanesulfonate) dihydrate, MeN(CH2SO3Na)2•2H2O

1984 ◽  
Vol 62 (3) ◽  
pp. 540-548 ◽  
Author(s):  
T. Stanley Cameron ◽  
Walter J. Chute ◽  
Osvald Knop
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Water Molecules ◽  
Amino Group ◽  
Orientational Disorder ◽  
Space Group ◽  
Bond Lengths ◽  
Hydrogen Bonded

The crystal structure of N-methylaminomethanesulfonic acid (P212121, a = 5.455(1) Å, b = 7.791(1) Å, c = 11.925(2) Å, Z = 4) consists of +MeNH2CH2SO3− zwitterions hydrogen-bonded to form infinite chains about screw axes parallel to a. In the structure of MeN(CH2SO3Na)2•2H2O (Pbcn, a = 10.469(1) Å, b = 6.039(3) Å, c = 17.549(3) Å, Z = 4), layers of MeN(CH2SO3−)2 anions alternate with layers of Na+ ions parallel to (001). The anions are linked by [Formula: see text] bonds between the water molecules and the O(2) atoms of the sulfonate groups. Because of the twofold orientational disorder of the N—CH3 groups the space group Pbcn is only statistical.The S—C, C—N, and S—O bond lengths in solid aminosulfonic acids and their salts are discussed with a view to detecting the existence of effects due to deprotonation of the amino group and to hydrogen bonding.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals Poly[bis(μ-4-aminobenzenesulfonato-κ2 N:O)diaquacobalt(II)]

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Antoine Blaise Kama ◽  
Mamadou Sidibe ◽  
Cheikh Abdoul Khadre Diop ◽  
Florent Blanchard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Framework ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral

The title compound, [Co(C6H6NO3S)2(H2O)2] n , was obtained from a mixture of Co(NO3)2·6H2O and a previously synthesized salt, namely CyNH3·NH2PhSO3, in a 1:1 ratio (Cy = cyclohexyl; Ph = phenyl). The crystal structure consists of a three-dimensional supramolecular framework, in which polymeric layers are interconnected via N—H...O and O—H...O hydrogen bonding. The polymeric layers are formed by an interconnection of neighbouring cobalt(II) cations via NH2PhSO3 − bridges. Each cobalt(II) cation is surrounded by four NH2PhSO3 − moieties and two water molecules, leading to a distorted octahedral environment.

scholarly journals Disorder of the dimeric TCNQ–TCNQ unit in the crystal structure of [Ni(bpy)3]2(TCNQ–TCNQ)(TCNQ)2·6H2O (TCNQ is 7,7,8,8-tetracyanoquinodimethane)

2017 ◽  
Vol 73 (1) ◽  
pp. 8-12
Author(s):  
Juraj Černák ◽  
Juraj Kuchár ◽  
Michal Hegedüs
Keyword(s):  
Crystal Structure ◽  
Radical Anion ◽  
Title Complex ◽  
Molar Ratio ◽  
Water Molecules ◽  
Aqueous Methanol ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Methanol System ◽  
Anion Radicals

Crystallization from an aqueous methanol system composed of Ni(NO3)2, 2,2′-bipyridine (bpy) and LiTCNQ (TCNQ is 7,7,8,8-tetracyanoquinodimethane) in a 1:3:2 molar ratio yielded single crystals of bis[tris(2,2′-bipyridine-κ2N,N′)nickel(II)] bis(7,7,8,8-tetracyanoquinodimethane radical anion) bi[7,7,8,8-tetracyanoquinodimethanide] hexahydrate, [Ni(C10H8N2)3]2(C24H8N8)(C12H4N4)2·6H2O or [Ni(bpy)3]2(TCNQ–TCNQ)(TCNQ)2·6H2O. The crystal structure comprises [Ni(bpy)3]2+complex cations, two centrosymmetric crystallographically independent TCNQ·−anion radicals with π-stacked exo groups, and an additional dimeric TCNQ–TCNQ unit which comprises 75.3 (9)% of a σ-dimerized (TCNQ–TCNQ)2−dianion and 24.7 (9)% of two TCNQ·−anion radicals with tightly π-stacked exo groups. The title complex represents the first example of an NiIIcomplex containing a σ-dimerized (TCNQ–TCNQ)2−dianion. Disordered solvent water molecules present in the crystal structure participate in hydrogen-bonding interactions.

scholarly journals Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine N-oxide

2019 ◽  
Vol 75 (8) ◽  
pp. 1284-1290
Author(s):  
Sheridan Lynch ◽  
Genevieve Lynch ◽  
Will E. Lynch ◽  
Clifford W. Padgett
Keyword(s):  
Hydrogen Bonding ◽  
Solvent Molecule ◽  
Bound Water ◽  
Manganese Atom ◽  
Coordination Complexes ◽  
Water Molecules ◽  
Inversion Center ◽  
Dimeric Complex ◽  
Bromide Ions ◽  
Derivatives Of

Four manganese(II) bromide coordination complexes have been prepared with four pyridine N-oxides, viz. pyridine N-oxide (PNO), 2-methylpyridine N-oxide (2MePNO), 3-methylpyridine N-oxide (3MePNO), and 4-methylpyridine N-oxide (4MePNO). The compounds are bis(μ-pyridine N-oxide)bis[aquadibromido(pyridine N-oxide)manganese(II)], [Mn2Br4(C5H5NO)4(H2O)2] (I), bis(μ-2-methylpyridine N-oxide)bis[diaquadibromidomanganese(II)]–2-methylpyridine N-oxide (1/2), [Mn2Br4(C6H7NO)2(H2O)4]·2C6H7NO (II), bis(μ-3-methylpyridine N-oxide)bis[aquadibromido(3-methylpyridine N-oxide)manganese(II)], [Mn2Br4(C6H7NO)4(H2O)2] (III), and bis(μ-4-methylpyridine N-oxide)bis[dibromidomethanol(4-methylpyridine N-oxide)manganese(II)], [Mn2Br4(C6H7NO)4(CH3OH)2] (IV). All the compounds have one unique MnII atom and form a dimeric complex that contains two MnII atoms related by a crystallographic inversion center. Pseudo-octahedral six-coordinate manganese(II) centers are found in all four compounds. All four compounds form dimers of Mn atoms bridged by the oxygen atom of the PNO ligand. Compounds I, II and III exhibit a bound water of solvation, whereas compound IV contains a bound methanol molecule of solvation. Compounds I, III and IV exhibit the same arrangement of molecules around each manganese atom, ligated by two bromide ions, oxygen atoms of two PNO ligands and one solvent molecule, whereas in compound II each manganese atom is ligated by two bromide ions, one O atom of a PNO ligand and two water molecules with a second PNO molecule interacting with the complex via hydrogen bonding through the bound water molecules. All of the compounds form extended hydrogen-bonding networks, and compounds I, II, and IV exhibit offset π-stacking between PNO ligands of neighboring dimers.

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