scholarly journals Crystal structure of (4,4′-bipyridyl-κN)bis[N-(2-hydroxyethyl)-N-isopropyldithiocarbamato-κ2S,S′]zinc(II)–4,4′-bipyridyl (2/1) and its isostructural cadmium(II) analogue

2017 ◽  
Vol 73 (11) ◽  
pp. 1642-1646 ◽  
Author(s):  
Yee Seng Tan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Metal Atom ◽  
Chelate Ring ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Axis Direction ◽  
Trigonal Bipyramidal ◽  
Centroid Distance ◽  
Supramolecular Layer

The title structures, [M(C6H12NOS2)2(C10H8N2)]·0.5C10H8N2, forM= Zn, (I), and Cd, (II), feature terminally bound 4,4′-bipyridyl ligands and non-coordinating 4,4′-bipyridyl molecules, with the latter disposed about a centre of inversion. The coordination geometry about the metal atom is defined by two non-symmetrically chelating dithiocarbamate ligands and a pyridyl N atom. The NS4donor sets are distorted but, approximate to trigonal bipyramidal in each case. In the crystal, hydroxy-O—H...O(hydroxy) and hydroxy-O—H...N(pyridyl) hydrogen bonds between the zinc-containing molecules lead to a supramolecular layer parallel to (100). The three-dimensional architecture arises as the layers are linkedviamethine-C—H...S, pyridyl-C—H...O(hydroxy) and π–π [inter-centroid distance between coordinated pyridyl rings = 3.6246 (18) Å] interactions. Channels along thec-axis direction are occupied by the non-coordinating 4,4′-bipyridine molecules, which are held in place by C—H...π(chelate ring) contacts.

scholarly journals Dibromido{N′-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ2 N′,O}cadmium

2012 ◽  
Vol 68 (6) ◽  
pp. m842-m842 ◽  
Author(s):  
Mehmet Akkurt ◽  
Ali Akbar Khandar ◽  
Muhammad Nawaz Tahir ◽  
Seyed Abolfazl Hosseini Yazdi ◽  
Farhad Akbari Afkhami
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Tridentate Ligand ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal ◽  
Centroid Distance ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The title compound, [CdBr2(C13H12N4O)], was obtained from the reaction of Cd(NO3)2·4H2O with methyl(pyridin-2-yl)methanone picolinoylhydrazone and sodium bromide. The Cd2+ cation is ligated by one O atom and two N atoms of the tridentate ligand and two bromide anions, forming a Br2CdN2O polyhedron with a distorted trigonal–bipyramidal coordination geometry. In the crystal, non-classical C—H...Br hydrogen bonds are observed. In addition, π–π stacking interactions [centroid–centroid distance = 3.7455 (19) Å] contribute to the stabilization of the crystal structure.

scholarly journals Crystal structure of 9-(dibromomethyl)-1,1-difluoro-3,7-dimethyl-1H-[1,3,5,2]oxadiazaborinino[3,4-a][1,8]naphthyridin-11-ium-1-uide

2016 ◽  
Vol 72 (11) ◽  
pp. 1642-1644
Author(s):  
Bang Zhong Wang ◽  
Jun Ping Zhou ◽  
Yong Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Mirror Plane ◽  
Supramolecular Network ◽  
Axis Direction ◽  
Π Interactions ◽  
Centroid Distance

The molecule of the title 1,8-naphthyridine-BF2derivative, C12H10BBr2F2N3O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual molecules are stacked along theb-axis direction. The cohesion in the crystal structure is accomplished by C—H...F hydrogen bonds and additional off-set π–π interactions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å], leading to the formation of a three-dimensional supramolecular network.

scholarly journals Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ2S,S)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (10) ◽  
pp. 1458-1464 ◽  
Author(s):  
Grant A. Broker ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Chelate Ring ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Coordination Geometry ◽  
Double Chain ◽  
Apical Position ◽  
Centroid Distance

In the title compound, [Zn(C4H8NOS2)2(C12H10N4)], the ZnIIatom exists within a NS4donor set defined by two chelating dithiocarbamate ligands and a pyridyl-Natom derived from a terminally bound 4-pyridinealdazine ligand. The distorted coordination geometry tends towards square-pyramidal with the pyridyl-N atom occupying the apical position. In the crystal, hydroxyl-O—H...O(hydroxyl) and hydroxyl-O—H...N(pyridyl) hydrogen-bonding give rise to a supramolecular double-chain along [1-10]; methyl-C—H...π(chelate ring) interactions help to consolidate the chain. The chains are connected into a three-dimensional architectureviapyridyl-C—H...O(hydroxyl) interactions. In addition to the contacts mentioned above, the Hirshfeld surface analysis points to the significance of relatively weak π–π interactions between pyridyl rings [inter-centroid distance = 3.901 (3) Å].

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals [N′-(4-Decyloxy-2-oxidobenzylidene)-3-hydroxy-2-naphthohydrazidato-κ3N,O,O′]dimethyltin(IV): crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (3) ◽  
pp. 390-396
Author(s):  
Siti Nadiah Binti Mohd Rosely ◽  
Rusnah Syahila Duali Hussen ◽  
See Mun Lee ◽  
Nathan R. Halcovitch ◽  
Mukesh M. Jotani ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Mirror Symmetry ◽  
Chelate Ring ◽  
Hirshfeld Surface ◽  
Methyl Groups ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal ◽  
First Approximation ◽  
Benzene Rings ◽  
Local Mirror Symmetry

The title diorganotin compound, [Sn(CH3)2(C28H32N2O4)], features a distorted SnC2NO2coordination geometry almost intermediate between ideal trigonal–bipyramidal and square-pyramidal. The dianionic Schiff base ligand coordinates in a tridentate fashionviatwo alkoxide O and hydrazinyl N atoms; an intramolecular hydroxy-O—H...N(hydrazinyl) hydrogen bond is noted. The alkoxy chain has an all-transconformation, and to the first approximation, the molecule has local mirror symmetry relating the two Sn-bound methyl groups. Supramolecular layers sustained by imine-C—H...O(hydroxy), π–π [between decyloxy-substituted benzene rings with an inter-centroid separation of 3.7724 (13) Å], C—H...π(arene) and C—H...π(chelate ring) interactions are formed in the crystal; layers stack along thecaxis with no directional interactions between them. The presence of C—H...π(chelate ring) interactions in the crystal is clearly evident from an analysis of the calculated Hirshfeld surface.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of aquabis[2-(1H-benzimidazol-2-yl-κN3)aniline-κN]zinc dinitrate

2015 ◽  
Vol 71 (4) ◽  
pp. m85-m86 ◽  
Author(s):  
Yongtae Kim ◽  
Sung Kwon Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Equatorial Plane ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Aqua Ligand ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Distorted Trigonal Bipyramidal

The cation of the complex title salt, [Zn(C13H11N3)2(H2O)](NO3)2, lies about a twofold rotation axis, which passes through the ZnIIatom and the O atom of the aqua ligand. The ZnIIatom adopts a distorted trigonal–bipyramidal geometry defined by two N atoms in axial positions [angle = 166.24 (7)°], and two N and one O atom in the equatorial plane [range of angles: 115.17 (7)–122.42 (3)°]. The dihedral angle between the imidazole and aniline rings is 23.86 (5)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the components into a three-dimensional network.

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.

scholarly journals 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o583-o583 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architectureviaC—H...O hydrogen bonds and π–π stacking interactions between the chromone units along thea-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].

scholarly journals Crystal structure of bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N,N′]rhenium(I)

2014 ◽  
Vol 70 (12) ◽  
pp. 587-589 ◽  
Author(s):  
Kseniia Piletska ◽  
Konstantin V. Domasevitch ◽  
Alexander V. Shtemenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Triazole Ligand ◽  
Additional Stabilization ◽  
Centrosymmetric Dimers

In the title compound, [ReBr(C13H10N4)(CO)3], the ReIatom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in afacconfiguration around the ReIatom. Mutual N—H...Br hydrogen bonds arrange molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H...O and C—H...Br hydrogen bonds, as well as by slipped π–π stacking interactions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

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