Four organic compounds based on substituted coumarin derivatives (1–4) have been synthesized and characterized by X-ray structural studies with a detailed analysis of Hirshfeld surface fingerprint plots facilitating comparison intermolecular interactions in building different supramolecular architectures. The study reveals that the molecular packing C–H···O, π···π, carbonyl (lone pair)···π cooperatively take part. recurring feature self-assembly all is appearance ribbon through weak hydrogen...

A solid-state complex utilizing non-covalent interactions between two aromatic cations is synthesized and characterized. The X-ray study of the structure shows that anion templated π+–π+ are major driving force in crystal packing, while π+–π, π–π, π–anion π+–anion assist overall stabilization self-assembly. In addition, we also identify cation-mediated interaction π anions (π−–π− interaction). energies important forces (π+–π+, π–anion, π+–anion, π−–π− interactions) observed calculated using...

The π+−π interactions are utilized to design the solid-state assembly of host−guest complexes where guests anions. doubly protonated MPTPH2 (MPTP = 4′-(4-methoxyphenyl)-2,2′:6′,2′′-terpyridine) complexed with H2O and Cl− or Br− synthesized, crystallized, characterized by X-ray analysis. By using density functional theory calculations which can properly describe dispersion energy, assembling phenomena analyzed in terms π−π as well H-bonding interactions. planar structure MPTPH2(Cl)2·2H2O...

A two component new coordination complex having formula {[Mn(phen)2Cl(H2O)]+ [Mn(phen)(btc)(H2O)3]−(CH3OH)·2(H2O)} (1) [btc = 1,3,5-benzenetricarboxylate trianion; phen 1,10-phenanthroline] has been synthesized and characterized by X-ray single crystal structure, which reveals that one of the components is positively charge other negatively charged. Complex 1 a rare example consisting ion pairs. The btc containing anionic subunits give rise to 3D supramolecular host based on driven hydrogen...

Abstract In this study, the core and periphery of B 13 + cluster have been unveiled by employing a novel approach—Reduced Electron Density Analysis adaptive natural density partitioning (AdNDP) Orbitals—to explore its rotor action. The central cluster, acting as “control unit”, governs transformation between ground state (GS) transition (TS). Core–peripheral electron separation alongside AdNDP analysis has revealed how shifts within dictate cluster's structural transitions. For first time,...

Three supramolecular complexes of Co(II) using SCN-/SeCN- in combination with 4,4'-dipyridyl-N,N'-dioxide (dpyo), i.e., {[Co(SCN)2(dpyo)2]·(dpyo)}n (1), {[Co(SCN)2(dpyo)(H2O)2]·(H2O)}n (2), {[Co(SeCN)2(dpyo)(H2O)2]·(H2O)}n (3), have been synthesized and characterized by single-crystal X-ray analysis. Complex 1 is a rare example dpyo bridged two-dimensional (2D) coordination polymer, π-stacked rods are generated the lattice dpyo, passing through rhombic grid stacked layers, resulting...

A 3D supramolecular metal−organic host could be realized in solid which the water assembly as a whole acted building block of framework with rectangular channels where guest molecules reside, adding new dimension to cluster research role has been shifted from its usual behavior that host. The crystal structure compound, {[Cu(mal)2](picH)2·5H2O}n, 1 [mal = malonate dianion, picH protonated 2-amino-4-picoline], synthesized purely aqueous media, shows Cu(II)−malonate 2D coordination polymeric...

Two novel organic-inorganic hybrid tungsto- and molybdo- telurates having formula [{Na4(H2O)14}{Cu(gly)}2][TeMo6O24] (1){gly = glycine} [{Cu(en)2}3{TeW6O24}]·6H2O {en ethyline-diamine} (2) based on Anderson type heteropolyoxometalates (POMs) have been synthesized characterized by X-ray crystallography. Common structural feature of both 1 2 is the presence a unique 1D open rack-like architecture, where disc shaped POMs act as steps cationic Cu-organic complexes handles rack. In independent...

14-Membered metal–ligand ring present in a photosensitive 2D coordination polymer, [Zn₂(fum)₂(4-phpy)₄(H₂O)₂] (H₂fum = fumaric acid and 4-phpy 4-phenyl pyridine) shows aromatic character as evident by the nucleus-independent chemical shifts (NICS) calculation.

Six coordination complexes, {[M(H2biim)2(H2O)2]2+X2-}·(nH2O) [(H2biim = biimidazole); {M Zn (1), Cd (2); X squarate; n 2}; (3), (4); glutarate; 4}; (5), succinate; (6), 2}], have been synthesized and characterized by X-ray single-crystal structure determination. The crystal packing of all the complexes reveals that cationic [M(H2biim)2(H2O)2]2+ fragments are self-assembled recognition enolate/dicarboxylate anions uncoordinated N−H motif H2biim resulting in one-dimensional supramolecular...

An organic–inorganic hybrid solid (dpaH)2[Hg(SCN)4] (1) (dpa = 2,2′-dipyridylamine) based on an anionic template [Hg(SCN)4]2− has been designed and synthesized. X-Ray crystallographic structural analysis reveals that templates assemble dpaH+ units into a 2-D layer structure through strong hydrogen bonding. In the assembly act as nodes spacers, leading to (4,4) net topology. The layers stack in ABAB fashion which is facilitated by S⋯S interactions between positioned successive AA or BB give...

Two different hydrate phases, namely, {[Cu(mal)2](picH)2·2H2O}n (1) and {[Cu(mal)2](picH)2·5H2O}n (2) [malH2 = malonic acid; picH protonated 2-amino-4-picoline] could be synthesized from purely aqueous media simply by mixing the reactants in stoichiometric ratio but with a slight alteration acidity of reaction media. When solid-state structure 1 is compared previously reported complex 2, interesting changes supramolecular self-assembly are noticed. We found that observed pH-triggered change...

The crystal lattice of the three isostructural compounds 1–3, (C6H8N2H)2[M(C3H2O4)2(H2O)2]·4H2O (C6H8N2H = protonated 2-amino-4-picoline, M Ni/Co/Mn, C3H4O4 malonate dianion; hereafter, malonate) is formed by supramolecular 2D layers. Hydrogen-bonding, π⋯π and lone pair⋯π interactions play crucial role in organizing monomeric [MII(mal)2(H2O)2] units into sheets along ab plane, through self-association between two different building blocks, namely a tetrameric water cluster including...