scholarly journals Crystal structure of 8-iodoquinolinium tetrachloridoaurate(III)

2015 ◽  
Vol 71 (12) ◽  
pp. m261-m262
Author(s):  
Benard O. Onserio ◽  
Sem Raj Tamang ◽  
James D. Hoefelmeyer
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Square Planar ◽  
Aurophilic Interactions ◽  
Cl Atoms ◽  
Short Contacts

The structure of the title salt, (C9H7IN)[AuCl4], is comprised of planar 8-iodoquinolinium cations (r.m.s. deviation = 0.05 Å) and square-planar tetrachloridoaurate(III) anions. The asymmetric unit contains one 8-iodoquinolinium cation and two halfs of [AuCl4]−anions, in each case with the central AuIIIatom located on an inversion center. Intermolecular halogen–halogen contacts were found between centrosymmetric pairs of I [3.6178 (4) Å] and Cl atoms [3.1484 (11), 3.3762 (13), and 3.4935 (12) Å]. Intermolecular N—H...Cl and C—H...Cl hydrogen bonding is also found in the structure. These interactions lead to the formation of a three-dimensional network. Additionally, there is an intramolecular N—H...I hydrogen bond between the aromatic iminium and iodine. There are no aurophilic interactions or short contacts between I and Au atoms, and there are no notable π-stacking interactions between the aromatic cations.

scholarly journals Crystal structure of (E)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1H-imidazole

2014 ◽  
Vol 70 (9) ◽  
pp. o966-o967
Author(s):  
Hayette Alliouche ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network

In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphenyl)ethenyl unit is connected to the methyl-nitroimidazole 1-methyl-4-nitro-1H-imidazole moiety. The molecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by intermolecular C—H...O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking interactions are observed,viz.benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

scholarly journals Crystal structure of 2-[(dichloromethane)sulfonyl]pyridine

2014 ◽  
Vol 70 (12) ◽  
pp. o1272-o1272
Author(s):  
Zhiqiu Chen ◽  
Hembat Bolat ◽  
Xing Wan ◽  
Ya Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Cl Atoms

The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two molecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp3—S bond are arranged in a staggered conformation with one of the Cl atomsantito the C atom in the aromatic ring [C—S—C—Cl torsion angles = 178.41 (11) and −176.70 (13)°]. In the crystal, molecules are linked by C—H...N and C—H...O hydrogen bonds, generating a three-dimensional network, and weak aromatic π–π stacking is also observed [centroid–centroid separation = 3.8902 (17) Å].

scholarly journals Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ2-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate

2016 ◽  
Vol 72 (5) ◽  
pp. 712-715
Author(s):  
Alexander A. Golichenko ◽  
Andrey V. Kravchenko ◽  
Irina V. Omelchenko ◽  
Denis M. Chudak ◽  
Vladimir A. Starodub ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Radical Cation ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Planar Configuration ◽  
Acetate Ligand ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title salt, (C10H8S8)[Re2Br6(CH3COO)]·0.5C2H3Cl3, contains one bis(ethylenedithio)tetrathiafulvalene (ET) radical cation, one μ2-acetato-bis[tribromidorhenate(III)] anion and a 1,1,2-trichloroethane molecule with half-occupancy disordered about a twofold rotation axis. The tetrathiafulvalene fragment adopts an almost planar configuration typical of the ET radical cation. The C atoms of both ethylenedithio fragments in the cation are disordered over two orientations with occupancy factors 0.65:0.35 and 0.77:0.23. In the anion, six Br atoms and a μ2-acetate ligand form a strongly distorted cubic O2Br6coordination polyhedron around the Re2dinuclear centre. In the crystal, centrosymmetrically related ET cations and Re2O2Br6anions are linked into dimers by π–π stacking interactions [centroid-to-centroid distance = 3.826 (8) Å] and by pairs of additional Re...Br contacts [3.131 (3) Å], respectively. The dimers are further packed into a three-dimensional network by non-directional interionic electrostatic forces and by C—H...Br and C—H...S hydrogen bonds. The disordered 1,1,2-trichloroethane molecules occupy solvent-accessible channels along thebaxis.

scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 136-138 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuIIcomplex as the CuIIcation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the two perchlorate ions in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intramolecular N—H...O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the molecular structure. In the crystal structure, an extensive series of intermolecular N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Crystal structure of (S)-5,7-diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

2015 ◽  
Vol 71 (4) ◽  
pp. o220-o221
Author(s):  
Ivy K. Price ◽  
Celine Rougeot ◽  
Jason E. Hein
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network

The title compound, C16H13N5, was synthesized by coupling aminotetrazole with chalcone in the presence of an amine organocatalyst derived from chincona alkaloid. There are two molecules,AandB, in the asymmetric unit. In moleculeA, the dihedral angles between the partly hydrogenated pyrimidine ring system (r.m.s. deviation = 0.056 Å) and thesp2- andsp3-bonded phenyl groups are 33.32 (11) and 86.53 (11)°, respectively. The equivalent data for moleculeBare 0.049 Å, and 27.05 (10) and 85.27 (11)°, respectively. In the crystal,A+Bdimers linked by pairs of N—H...N hydrogen bonds generateR22(8) loops. The dimers are linked by aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.5367 (15) Å], which results in a three-dimensional network.

scholarly journals Crystal structure of bis{μ-2-[(dimethylamino)methyl]ferroceneselenolato}bis[chloridopalladium(II)]

2014 ◽  
Vol 70 (10) ◽  
pp. m343-m344
Author(s):  
Esther M. Takaluoma ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Title Compound ◽  
Three Dimensional ◽  
Binuclear Complexes ◽  
Dimensional Network ◽  
Square Planar ◽  
Cl Atoms

The dinuclear title compound, [PdCl{Se[(C5H5)Fe(C5H3)2CH2N(CH3)2]}]2was obtained by the reaction of [PdCl2(NCPh)2] with 2-[(N,N′-dimethylamino)methyl]ferroceneselenolate and the crystals for the structure determination were grown from a mixture of THF andn-hexane. Both PdIIatoms are coordinated by the bridging Se atoms and by the amino N atoms of the bidentate 2-[(N,N′-dimethylamino)methyl]ferroceneselenolate ligand, as well as by Cl atoms, and show a distorted square-planar coordination. The angle between the Pd—Se—Se planes of the two Pd atoms is 149.31 (3)°. Weak Cl...H hydrogen bonds link the binuclear complexes into a three-dimensional network.

scholarly journals Crystal structure of 4-oxo-4H-chromene-3-carboxylic acid

2015 ◽  
Vol 71 (8) ◽  
pp. o580-o581 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Fused Ring ◽  
Intramolecular Hydrogen ◽  
Short Contacts

In the title compound, C10H6O4, also known as 3-carboxychromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057 Å), with the maximum deviation from their least-squares plane [0.011 (2) Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carboxy group is 3.06 (2)°. An intramolecular hydrogen bond is formed between the ring carbonyl O atom and the carboxy O—H atom, closing anS(6) loop. In the crystal, molecules are assembled by stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.844 (3) Å] and C—H...O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carboxy O and C atoms [C=O...C=O = 3.002 (3) Å].

scholarly journals Crystal structure oftrans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data

2014 ◽  
Vol 70 (11) ◽  
pp. 290-293 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atoms

In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The CrIIIions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in atransaxial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl3(C5H5N)]−anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linkedviaO—H...Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H...Cl, C—H...π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network.

scholarly journals Bis(μ-L-arginine-κ3N2,O:O′)bis(L-arginine-κ2N2,O)tetra-μ-chlorido-tetrachloridotetracopper(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m583-m584 ◽  
Author(s):  
P. Arularasan ◽  
B.Sivakumar ◽  
G. Chakkaravarthi ◽  
R. Mohan
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Cl Atoms

The title compound, [Cu4Cl8(C6H14N4O2)4], contains four molecules in the asymmetric unit. In the molecular structure, each of the four Cu2+ions binds to three Cl atoms, one N atom and one O atom, resulting in distorted square-pyramidal coordination environments. The molecular structure is stabilized by weak C—H...O and N—H...Cl hydrogen bonds. The crystal structure exhibit weak intermolecular N—H...O, C—H...O and N—H...Cl interactions, generating a three-dimensional network.

scholarly journals Crystal structure of bis(μ-3-nitrobenzoato)-κ3O,O′:O;κ3O:O,O′-bis[bis(3-cyanopyridine-κN1)(3-nitrobenzoato-κ2O,O′)cadmium]

2017 ◽  
Vol 73 (3) ◽  
pp. 413-416
Author(s):  
Tuncer Hökelek ◽  
Nurcan Akduran ◽  
Azer Özen ◽  
Güventürk Uğurlu ◽  
Hacali Necefoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Inversion Symmetry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bidentate Ligands ◽  
Dimensional Network ◽  
Benzene Rings

The asymmetric unit of the title compound, [Cd2(C7H4NO4)4(C6H4N2)4], contains one CdIIatom, two 3-nitrobenzoate (NB) anions and two 3-cyanopyridine (CPy) ligands. The two CPy ligands act as monodentate N(pyridine)-bonding ligands, while the two NB anions act as bidentate ligands through the carboxylate O atoms. The centrosymmetric dinuclear complex is generated by application of inversion symmetry, whereby the CdIIatoms are bridged by the carboxylate O atoms of two symmetry-related NB anions, thus completing the distorted N2O5pentagonal–bipyramidal coordination sphere of each CdIIatom. The benzene and pyridine rings are oriented at dihedral angles of 10.02 (7) and 5.76 (9)°, respectively. In the crystal, C—H...N hydrogen bonds link the molecules, enclosingR22(26) ring motifs, in which they are further linkedviaC—H...O hydrogen bonds, resulting in a three-dimensional network. In addition, π–π stacking interactions between parallel benzene rings and between parallel pyridine rings of adjacent molecules [shortest centroid-to-centroid distances = 3.885 (1) and 3.712 (1) Å, respectively], as well as a weak C—H...π interaction, may further stabilize the crystal structure.

Sign in / Sign up

Export Citation Format

Share Document