scholarly journals Crystal structure of bis[4-(4-chlorobenzyl)pyridine-κN]bis(thiocyanato-κN)zinc

2014 ◽  
Vol 70 (10) ◽  
pp. m355-m356
Author(s):  
Julia Werner ◽  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Dispersion Forces ◽  
Hydrogen Bonding Interaction ◽  
Asymmetric Unit ◽  
Distorted Tetrahedron ◽  
Pyridine Ligands ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Discrete Complex

In the crystal structure of the title compound, [Zn(NCS)2(C12H10ClN)2], the Zn2+cation isN-coordinated by two terminally bonded thiocyante anions and by two 4-(4-chlorobenzyl)pyridine ligands within a slightly distorted tetrahedron. The asymmetric unit consists of half of the discrete complex, the central Zn2+cation of which is located on a twofold rotation axis. The discrete complexes are linked into layersviaa weak intermolecular hydrogen-bonding interaction, with a H...Cl distance of 2.85 Å and a C—H...Cl angle of 151°. These layers extend parallel to theabplane and are held together by dispersion forces only.

scholarly journals Crystal structure of anhydrous poly[bis(μ2-sarcosinato-κ3O,N:O′)copper(II)]

2014 ◽  
Vol 70 (10) ◽  
pp. 207-209
Author(s):  
Ray J. Butcher ◽  
Greg Brewer ◽  
Matthew Zemba
Keyword(s):  
The Other ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Hydrogen Bonding Interaction ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Jahn Teller ◽  
Adjacent Molecule

The title compound, [Cu(C3H6NO2)2]n, is a bis-complex of the anion of sarcosine (N-methylglycine). The asymmetric unit consists of a copper(II) ion, located on a center of inversion, and one molecule of the uninegative sarcosinate anion. The copper(II) ion exhibits a typical Jahn–Teller distorted [4 + 2] coordination geometry. The four shorter equatorial bonds are to the nitrogen and carboxylate O atoms of two sarcosinate anions, and the longer axial bonds are to carboxylate O atoms of neighboring complexes. The overall structure is made up from two chains formed by these longer axial Cu—O bonds, one extending parallel to [011] and the other parallel to [0-11]. Each one-dimensional array is connected by the equatorial bridging moieties to the chains on either side, creating an extended two-dimensional framework parallel to (100). There is a single intermolecular hydrogen-bonding interaction within the sheets between the amino NH group and an O atom of an adjacent molecule.

scholarly journals Crystal structure of azido(η5-cyclopentadienyl)bis(triphenylphosphane-κP)ruthenium(II) dichloromethane hemisolvate

2014 ◽  
Vol 70 (10) ◽  
pp. m345-m346
Author(s):  
Adriana Hernández-Calva ◽  
Lidia Meléndez-Balbuena ◽  
Maribel Arroyo ◽  
Armando Ramírez-Monroy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intermolecular Interaction ◽  
Canonical Form ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Hydrogen Bonding Interaction ◽  
Acta Cryst ◽  
Bonding Interaction ◽  
Cl Atoms

The title solvated complex, [Ru(η5-C5H5)(N3){P(C6H5)3}2]·0.5CH2Cl2, displays a typical piano-stool geometry about the RuIIatom. The bond lengths and angles of the cyclopentadienyl and phosphane ligands are very similar to that of the unsolvated complex [Taqui Khanet al.(1994).Acta Cryst.C50, 502–504]. The azide anion displays similar N—N distances of 1.173 (3) and 1.156 (3) Å and has an N—N—Ru angle of 119.20 (15)°, indicating a greater contribution of the canonical form Ru—N=N(+)=N(-)for the bonding situation. An intramolecular C—H...N hydrogen-bonding interaction between oneorthoH atom of a phosphane ligand and the N atom coordinating to the metal is observed. A similar intermolecular interaction is observed between ametaH atom of a phosphane ligand and the terminal azide N atom of a neighbouring complex. Finally, two C—H...N interactions exists between the H atoms of the dichloromethane solvent molecule and the terminal N atom of two azide anions. The solvent molecule is located about a twofold rotation axis and shows disorder of the Cl atoms with an occupancy ratio of 0.62 (3):0.38 (3).

scholarly journals Crystal structure of bis(isonicotinamide-κN1)bis(thiocyanato-κN)zinc

2016 ◽  
Vol 72 (7) ◽  
pp. 922-925 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Discrete Complex

The asymmetric unit of the title complex, [Zn(SCN)2(C6H6N2O)2], consists of one Zn2+cation located on a twofold rotation axis, as well as of one thiocyanate anion and one neutral isonicotinamide ligand, both occupying general positions. The Zn2+cation is tetrahedrally coordinated into a discrete complex by the N atoms of two symmetry-related thiocyanate anions and by the pyridine N atoms of two isonicotinamide ligands. The complexes are linked by intermolecular C—H...O and N—H...O, and weak intermolecular N—H...S hydrogen-bonding interactions into a three-dimensional network.

scholarly journals Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-bromophenol (1/2)

2015 ◽  
Vol 71 (5) ◽  
pp. 463-465 ◽  
Author(s):  
Augusto Rivera ◽  
Juan Manuel Uribe ◽  
Jicli José Rojas ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Species Association ◽  
Crystalline Adduct ◽  
Aminal Cage

The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H...N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H...O and C—H...Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to thebcplane.

scholarly journals [Bis(pyridin-2-ylmethyl)amine-κ3 N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m741-m742
Author(s):  
Marietjie Schutte ◽  
Theunis J. Muller ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion ◽  
Amine Ligand

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)amine ligand in a distorted octahedral environment. N—H...Br, O—H...Br, C—H...O and C—H...Br hydrogen bonds are present in the crystal structure and π–π stacking is also observed [centroid–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.

scholarly journals Bis(1,2-dimethoxyethane)-1κ2O,O′;3κ2O,O′-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ4O:O;2:3κ4O:O-1,3-dilithium-2-magnesium

2012 ◽  
Vol 68 (8) ◽  
pp. m1106-m1106 ◽  
Author(s):  
Klaus Wurst ◽  
Michael R. Buchmeiser
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Ligand Field ◽  
Asymmetric Unit ◽  
Crystalline Powder ◽  
Bridging Ligands ◽  
White Crystalline Powder

The title compound, [Li2Mg(C4H3F6O)4(C4H10O2)2], forms as a white crystalline powder by-product of the reaction of lithium 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxide with Mo(N-2,6-Me2—C6H3)(CHCMe2Ph)(O3SCF3)2·2DME (DME is 1,2-dimethoxyethane) contaminated with MgCl2. The crystal structure of this compound contains half a molecule in the asymmetric unit, with a twofold rotation axis through the central Mg2+cation. The four 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate ligands serve as bridging ligands connecting the Li+and Mg2+cations. The Li+cation is additionally stabilized by a DME ligand. This results in a distorted tetrahedral ligand field around both the Mg2+and Li+cations.

2,5-Dibromopyridinium hexabromidostannate(IV)

2007 ◽  
Vol 63 (3) ◽  
pp. m892-m894 ◽  
Author(s):  
Basem Fares Ali ◽  
Rawhi Al-Far
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.

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 Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: an anti-HIV agent

2014 ◽  
Vol 70 (11) ◽  
pp. 396-399
Author(s):  
Maxim V. Jasko ◽  
Galina V. Gurskaya ◽  
Marina K. Kukhanova ◽  
Ivan S. Bushmarinov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Asymmetric Unit ◽  
Anti Hiv

The asymmetric unit of the title compound, NH4+·C11H14N6O7P−·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP–AZT) anion, half of an NH4+cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4+cation and a water molecule. The amide group of the ACP–AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N—H...O (involving C=O...H4N+) hydrogen bond and the other an O—H...N (involving C—NH2...OH2) hydrogen bond with the components of the split NH4+/H2O position. The pseudorotation parameters of ACP–AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N—H...O, O—H...O, N—H...N, C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework.

scholarly journals Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data

2015 ◽  
Vol 71 (11) ◽  
pp. 1325-1327 ◽  
Author(s):  
Maxim Bykov ◽  
Elena Bykova ◽  
Vadim Dyadkin ◽  
Dominik Baumann ◽  
Wolfgang Schnick ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Determinations ◽  
Anisotropic Displacement Parameters

Hitherto, phosphorus oxonitride (PON) could not be obtained in the form of single crystals and only powder diffraction experiments were feasible for structure studies. In the present work we have synthesized two polymorphs of phosphorus oxonitride, cristobalite-type (cri-PON) and coesite-type (coe-PON), in the form of single crystals and reinvestigated their crystal structures by means of in house and synchrotron single-crystal X-ray diffraction. The crystal structures ofcri-PON andcoe-PON are built from PO2N2tetrahedral units, each with a statistical distribution of oxygen and nitrogen atoms. The crystal structure of thecoe-PON phase has the space groupC2/cwith seven atomic sites in the asymmetric unit [two P and three (N,O) sites on general positions, one (N,O) site on an inversion centre and one (N,O) site on a twofold rotation axis], while thecri-PON phase possesses tetragonalI-42dsymmetry with two independent atoms in the asymmetric unit [the P atom on a fourfold inversion axis and the (N,O) site on a twofold rotation axis]. In comparison with previous structure determinations from powder data, all atoms were refined with anisotropic displacement parameters, leading to higher precision in terms of bond lengths and angles.

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