Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π–π stacking interactions

2013 ◽  
Vol 69 (3) ◽  
pp. 219-224 ◽  
Author(s):  
Anna S. Degtyarenko ◽  
Konstantin V. Domasevitch
Keyword(s):  
Hydrogen Bonding ◽  
Organic Ligands ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Π Stacking ◽  
Thiocyanate Complexes

New complexes containing the 1,4-bis(pyridazin-4-yl)benzene ligand, namely diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κN2]cadmium(II) hexaiodidodicadmate(II), [Cd(C14H10N4)4(H2O)2][Cd2I6], (I), and poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ2N2:N2′]bis(μ-thiocyanato-κ2N:S)cadmium(II)], [Cd(NCS)2(C14H10N4)]n, (II), demonstrate the adaptability of the coordination geometries towards the demands of slipped π–π stacking interactions between the extended organic ligands. In (I), the discrete cationic [Cd—N = 2.408 (3) and 2.413 (3) Å] and anionic [Cd—I = 2.709 (2)–3.1201 (14) Å] entities are situated across centres of inversion. The cations associateviacomplementary O—H...N2′hydrogen bonding [O...N = 2.748 (4) and 2.765 (4) Å] and extensive triple π–π stacking interactions between pairs of pyridazine and phenylene rings [centroid–centroid distances (CCD) = 3.782 (4)–4.286 (3) Å] to yield two-dimensional square nets. The [Cd2I6]2−anions reside in channels generated by packing of successive nets. In (II), the CdIIcation lies on a centre of inversion and the ligand is situated across a centre of inversion. A two-dimensional coordination array is formed by crosslinking of linear [Cd(μ-NCS)2]nchains [Cd—N = 2.3004 (14) Å and Cd—S = 2.7804 (5) Å] withN2:N2′-bidentate organic bridges [Cd—N = 2.3893 (12) Å], which generate π–π stacks by double-slipped interactions between phenylene and pyridazine rings [CCD = 3.721 (2) Å].

Aqua(2,2′-bipyridine)maleatocopper(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m916-m918 ◽  
Author(s):  
Ming-Tian Li ◽  
Xu-Cheng Fu ◽  
Cheng-Gang Wang
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Carboxylate Groups ◽  
Tetragonal Pyramidal ◽  
Bipyridine Ligand

In the molecule of the title compound, [Cu(C10H8N2)(C4H2O4)(H2O)]·2H2O, the Cu(II) atom has elongated tetragonal pyramidal geometry, coordinated by one water O atom, two N atoms of the 2,2′-bipyridine ligand and two O atoms of the two carboxylate groups of the maleate dianion. The molecules are linked through hydrogen-bonding and π–π stacking interactions, forming a two-dimensional supramolecular structure.

scholarly journals Bis(thiocyanato-κN)[tris(pyridin-2-ylmethyl)amine-κ4N]iron(II)

2014 ◽  
Vol 70 (2) ◽  
pp. m35-m35
Author(s):  
Jing-Wei Dai ◽  
Zhao-Yang Li ◽  
Osamu Sato
Keyword(s):  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Π Stacking ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Amine Ligand

In the title complex, [Fe(NCS)2(C18H18N4)], the FeIIcation is chelated by a tris(2-pyridylmethyl)amine ligand and coordinated by two thiocyanate anions in a distorted N6octahedral geometry. In the crystal, weak C—H...S hydrogen bonds and π–π stacking interactions between parallel pyridine rings of adjacent molecules [centroid–centroid distance = 3.653 (3) Å] link the molecules into a two-dimensional supramolecular architecture. The structure contains voids of 124 (9) Å3, which are free of solvent molecules.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one

2019 ◽  
Vol 75 (6) ◽  
pp. 746-750
Author(s):  
Cemile Baydere ◽  
Merve Taşçı ◽  
Necmi Dege ◽  
Mustafa Arslan ◽  
Yusuf Atalay ◽  
...  
Keyword(s):  
Surface Analysis ◽  
Flat Surface ◽  
Crystal Packing ◽  
Shape Index ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Surface Patches ◽  
Π Stacking

A novel chalcone, C20H20O, derived from benzylidenetetralone, was synthesized via Claissen–Schmidt condensation between tetralone and 2,4,6-trimethylbenzaldehyde. In the crystal, molecules are linked by C—H...O hydrogen bonds, producing R 2 2(20) and R 2 4(12) ring motifs. In addition, weak C—H...π and π-stacking interactions are observed. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H...H (66.0%), H...C/ C...H (22.3%), H...O/O...H (9.3%), and C...C (2.4%) interactions. Shape-index plots show π–π stacking interactions and the curvedness plots show flat surface patches characteristic of planar stacking.

Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network

2021 ◽  
Vol 77 (2) ◽  
pp. 211-218
Author(s):  
Ivica Cvrtila ◽  
Vladimir Stilinović
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
The Other ◽  
Two Dimensional ◽  
Structural Motifs ◽  
Supramolecular Isomerism ◽  
Other Hand ◽  
Π Stacking ◽  
Hydrogen Bonded

The crystal structures of two polymorphs of a phenazine hexacyanoferrate(II) salt/cocrystal, with the formula (Hphen)3[H2Fe(CN)6][H3Fe(CN)6]·2(phen)·2H2O, are reported. The polymorphs are comprised of (Hphen)2[H2Fe(CN)6] trimers and (Hphen)[(phen)2(H2O)2][H3Fe(CN)6] hexamers connected into two-dimensional (2D) hydrogen-bonded networks through strong hydrogen bonds between the [H2Fe(CN)6]2− and [H3Fe(CN)6]− anions. The layers are further connected by hydrogen bonds, as well as through π–π stacking of phenazine moieties. Aside from the identical 2D hydrogen-bonded networks, the two polymorphs share phenazine stacks comprising both protonated and neutral phenazine molecules. On the other hand, the polymorphs differ in the conformation, placement and orientation of the hydrogen-bonded trimers and hexamers within the hydrogen-bonded networks, which leads to different packing of the hydrogen-bonded layers, as well as to different hydrogen bonding between the layers. Thus, aside from an exceptional number of symmetry-independent units (nine in total), these two polymorphs show how robust structural motifs, such as charge-assisted hydrogen bonding or π-stacking, allow for different arrangements of the supramolecular units, resulting in polymorphism.

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