Di(4-pyridyl) Sulfoxide as an Angled Building Block for Zigzag-Chain Silver(I) Complexes Stabilized by Supramolecular O=S···π Interactions

2013 ◽  
Vol 2013 (14) ◽  
pp. 2591-2600 ◽  
Author(s):  
Chong-Qing Wan ◽  
Zi-Wei Wang ◽  
Guo Wang ◽  
Ai-Min Li ◽  
Qiong-Hua Jin ◽  
...  
Keyword(s):  
Building Block ◽  
Zigzag Chain ◽  
Π Interactions

Unusual π-π interactions directed by [{(C6H6)Ru}2W8O30(OH)2]6– hybrid anion

CrystEngComm ◽  
2021 ◽  
Author(s):  
Anna A Mukhacheva ◽  
Vladislav Komarov ◽  
Vasily Kokovkin ◽  
Alexander S. Novikov ◽  
Pavel A Abramov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Building Block ◽  
Π Interactions

The [{(C6H6)Ru}2W8O30(OH)2]6– hybrid (organometallic-POM) anion was used as a pH-tunable building block to create special conditions for realizing π-π interactions in the crystal structure. Changing pH of aqueous solution of...

scholarly journals The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies

Crystals ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 455 ◽  
Author(s):  
Saikat Seth
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Noncovalent Interactions ◽  
Carbonyl Oxygen ◽  
Hirshfeld Surface ◽  
Mixed Ligand ◽  
Binding Energies ◽  
Zigzag Chain ◽  
X Ray ◽  
Π Interactions

In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric zigzag chain along [010] the carboxylate carbonyl oxygen atom by two-fold symmetry screw axis. The solid-state structure is stabilized through C–H···O hydrogen bonds and C–H···π interactions that lead the molecules to generate two-dimensional supramolecular assemblies. The intricate combinations of hydrogen bonds and C–H···π interactions are fully described along with computational studies. A thorough analysis of Hirshfeld surface and fingerprint plots elegantly quantify the interactions involved within the structure. The binding energies associated with the noncovalent interactions observed in the crystal structure and the interplay between them were calculated using theoretical DFT calculations. Weak noncovalent interactions were analyzed and characterized using Bader’s theory of ‘‘atoms-in-molecules’’ (AIM). Finally, the solid-state supramolecular assembly was characterized by the “Noncovalent Interaction” (NCI) plot index.

1-(2-Chlorobenzyl)-2-methylpyridinium bis(maleonitriledithiolato)nickelate(III)

2006 ◽  
Vol 62 (4) ◽  
pp. m936-m938
Author(s):  
Chun-Lin Ni ◽  
Ming-Guo Liu
Keyword(s):  
Title Compound ◽  
Zigzag Chain ◽  
Coordination Geometry ◽  
Ionic Complex ◽  
One Dimensional ◽  
Π Interactions ◽  
Square Planar

The title compound is a new ionic complex, (C13H13ClN)[Ni(C4N2S2)2] or [ClBzPyMe][Ni(mnt)2] [where ClBzPyMe is 1-(2-chlorobenzyl)-2-methylpyridinium and mnt is maleonitriledithiolate]. In the anion the NiIII atom is coordinated by the four S atoms of two mnt2− ligands and exhibits the expected square-planar coordination geometry. In the [ClBzPyMe]+ cation the benzene and pyridine rings are twisted with respect to the C/C/N plane incorporating the methylene C atom that links them. The [Ni(mnt)2]− anions and [ClBzPyMe]+ cations stack into well segregated columns along the a axis, and the NiIII ions form a one-dimensional zigzag chain through weak Ni...S, S...S, and π–π interactions.

catena-Poly[[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-benzene-1,4-dicarboxylato]

2007 ◽  
Vol 63 (11) ◽  
pp. m2726-m2726 ◽  
Author(s):  
Chang-Kun Xia ◽  
Wen Wu ◽  
Qiu-Yun Chen ◽  
Ji-Min Xie
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Chain Structure ◽  
Octahedral Coordination ◽  
Pyridyl Ring ◽  
Zigzag Chain ◽  
Coordination Environment ◽  
Π Interactions

In the title coordination polymer, [Co(C8H4O4)(C12H9N3)] n , the CoII atom exists in an octahedral coordination environment formed by four carboxylate O atoms from two benzene-1,4-dicarboxylate ligands, and two N atoms from the 2-(2-pyridyl)benzimidazole ligand. Bridging by the benzene-1,4-dicarboxylate ligand leads to a zigzag chain structure, and intermolecular N—H...O hydrogen bonds as well as π–π interactions between the pyridyl ring and the benzene ring of the 2-(2-pyridyl)benzimidazole ligand (centroid–centroid distances = 3.678 and 3.697 Å) link the chains into a three-dimensional framework.

scholarly journals (E)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2572-o2572
Author(s):  
Hyung Jin Kim ◽  
Young Hyun Kim ◽  
Enkhzul Otgonbaatar ◽  
Chee-Hun Kwak
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Zigzag Chain ◽  
Intramolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Dihydropyridine Ring

In the title compound, C17H25N3O3, there are intramolecular hydrogen bonds between an amine H atom and the epoxy O atom, and between a dihydropyridine ring H atom and the ketone O atom. In the crystal, molecules are linked into a zigzag chain running parallel to thecaxis by hydrogen bonds between the hydroxy group and the ketone O atom. There are also weak C—H...O and C—H...π interactions which link the molecules into sheets lying in thebcplane.

scholarly journals Crystal structure of bis(acetonitrile-κN)(4,4′-di-tert-butyl-2,2′-bipyridine-κ2 N,N′)platinum(II) bis(tetrafluoridoborate) packing as head-to-head dimers

2018 ◽  
Vol 74 (5) ◽  
pp. 695-697
Author(s):  
Chris Joseph ◽  
Vladimir N. Nesterov ◽  
Bradley W. Smucker
Keyword(s):  
Crystal Structure ◽  
Building Block ◽  
Π Interactions ◽  
Tert Butyl ◽  
Close Proximity

The crystal structure of a platinum(II) supramolecular building block, [Pt(dbbpy)(NCCH3)2](BF4)2 (dbbpy = 4,4′-di-tert-butyl-2,2′-bipyridine, C18H24N2) is an example of a rare head-to-head dimer, even with the bulky tert-butyl groups of the bipyridine. This packing motif still enables significant π–π interactions between two pyridyl groups, and may result from the close proximity of the tetrafluoridoborate ions to the platinum(II) complexes, resulting in intramolecular H...F distances between 2.156 and 2.573 Å.

{[Cu2Mo(C4N2S2)3(C2H3N)(C25H22P2)2]·2C4H10O·C2H3N} n

2007 ◽  
Vol 63 (3) ◽  
pp. m842-m844
Author(s):  
Wei-Wei Fu ◽  
Zhong-Ning Chen
Keyword(s):  
Diethyl Ether ◽  
Building Block ◽  
Title Compound ◽  
Chain Structure ◽  
Zigzag Chain ◽  
Binuclear Copper ◽  
One Dimensional

The reaction between [Cu2(μ-dppm)2(MeCN)2](ClO4)2 and (Bu4N)2[Mo(mnt)3], where dppm is bis(diphenylphosphino)methane and mnt is cis-1,2-dicyanoethylene-1,2-dithiolate, gave the title compound, catena-Poly[[[acetonitrilebis[μ-bis(diphenylphosphino)methane-κ2 P:P′]dicopper(I)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)-[(1,2-dicyanoethylene-1,2-dithiolato)molybdenum(IV)]-μ-(1,2-dicyanoethylene-1,2-dithiolato)] diethyl ether disolvate acetonitrile solvate]. The binding between a Cu atom of the binuclear copper unit [Cu2(μ-dppm)2(MeCN)]2+ and two N atoms of the building block [Mo(mnt)3]2− results in the formation of a one-dimensional zigzag chain structure.

scholarly journals Structure of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazol-3-ium) tetrachloridomercurate(II)

2017 ◽  
Vol 73 (4) ◽  
pp. 560-563
Author(s):  
Varsha Rani ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Zigzag Chain ◽  
Side Chains ◽  
Halogen Bonds ◽  
Bond Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Cl Atom ◽  
Trifurcated Hydrogen Bond

In the title salt, (C34H44N4)[HgCl4], the [C34H44N4]2+cations and [HgCl4]2−anions are linked by N—H...Cl hydrogen bonds. One of the twon-pentyl side chains was refined as disordered over two sets of sites, with occupancies of 0.733 (18) and 0.267 (18). The geometry around the HgIIatom in the [HgCl4]2−anion is distorted tetrahedral, with bond angles ranging from 98.16 (3) to 120.68 (3)°. In the [HgCl4]2−anion, there are two short Hg—Cl bonds [2.4120 (9) and 2.4171 (11) Å], one intermediate Hg—Cl bond [2.4716 (12) Å] and one long Hg—Cl bond [2.6579 (13) Å] for the Cl atom involved in a trifurcated hydrogen bond as an acceptor, including two N—H...Cl...H—N interactions as well as one C—H...Cl interaction. There are several C—H...Cl interactions, with C...Cl distances ranging from 3.492 (3) to 3.796 (3) Å. These link the cations and anions into a zigzag chain along thec-axis direction. In addition, there are Cl...Cl halogen bonds, as well as π–π interactions, with centroid-to-centroid distances of 3.4765 (18) Å, which link one of the two benzimidazole moieties into dimeric units.

scholarly journals Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene

2017 ◽  
Vol 73 (9) ◽  
pp. 667-673 ◽  
Author(s):  
Pablo A. Raffo ◽  
Sebastián Suárez ◽  
Adolfo C. Fantoni ◽  
Ricardo Baggio ◽  
Fabio D. Cukiernik
Keyword(s):  
Comparative Analysis ◽  
Melting Point ◽  
Building Block ◽  
Lamellar Structure ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Type Ii ◽  
Halogen Bonds ◽  
Space Group ◽  
Π Interactions

After reporting the structure of a new polymorph of 1,3,5-trifluoro-2,4,6-triiodobenzene (denoted BzF3I3), C6F3I3, (I), which crystallized in the space group P21/c, we perform a comparative analysis with the already reported P21/n polymorph, (II) [Reddy et al. (2006). Chem. Eur. J. 12, 2222–2234]. In polymorph (II), type-II I...I halogen bonds and I...π interactions connect molecules in such a way that a three-dimensional structure is formed; however, the way in which molecules are connected in polymorph (I), through type-II I...I halogen bonds and π–π interactions, gives rise to an exfoldable lamellar structure, which looks less tightly bound than that of (II). In agreement with this structural observation, both the melting point and the melting enthalpy of (I) are lower than those of (II).

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