A Novel Hydrogen-Bonded Duplex Made up of Water Molecules and Halide Ions in the Sandwich Inclusion Structures of (C10H8N3S)+·X·2H2O [X = Cl−, Br−]

Prabakaran, Ponraj; Murugesan, S.; Robert, Jebamony Justin; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara

doi:10.1246/cl.2000.1080

Cited by 10 publications

(10 citation statements)

References 8 publications

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“…However, these interactions are found to be signi®cantly longer than those observed in similar crystal structures. For instance, in a thiabendazolium derivative (Prabakaran et al, 2000), the shortest %±% contacts involving the thiazole ring are 3.665 and 3.669 A Ê . In another report on the structure of 2,4,6triphenoxy-1,3,5-triazine, very weak %±% contacts are reported, with a separation of 3.301 A Ê (Thalladi et al, 1998).…”

Section: Figurementioning

confidence: 99%

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

et al. 2003

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In the structure of the title compound, C(10)H(8)BrNS, the dihedral angles between the planes of the thiazole and aryl rings, viz. 4.2 (6) and 7.5 (6) degrees for the two independent molecules, are consistent with insignificant molecular perturbation by the weak intermolecular contacts. The molecules are close to being related by a non-crystallographic inversion centre, with C-H.pi and pi-pi intermolecular interactions observed.

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Section: Figurementioning

confidence: 99%

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

et al. 2003

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“…The ladder motif, as observed in the crystal lattice, is shown in Fig. 2(b) (Hemamalini et al, 2006;Prabakaran et al, 2000;Jenniefer & Muthiah, 2014). Another supramolecular ladder is formed by two R 4 4 (16) ring motifs involving O5-H5BÁ Á ÁO6, O6-H6BÁ Á ÁCl1 iv and O6-H6AÁ Á ÁO2 iii hydrogen bonds, made up of metal ions, carboxylate groups, chloride ions and both types (coordinated and uncoordinated) of water molecules.…”

Section: Tablementioning

confidence: 80%

Supramolecular architectures in Co^IIand Cu^IIcomplexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands

2016

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The coordination chemistry of mixed-ligand complexes continues to be an active area of research since these compounds have a wide range of applications. Many coordination polymers and metal-organic framworks are emerging as novel functional materials. Aminopyrimidine and its derivatives are flexible ligands with versatile binding and coordination modes which have been proven to be useful in the construction of organic-inorganic hybrid materials and coordination polymers. Thiophenecarboxylic acid, its derivatives and their complexes exhibit pharmacological properties. Cobalt(II) and copper(II) complexes of thiophenecarboxylate have many biological applications, for example, as antifungal and antitumor agents. Two new cobalt(II) and copper(II) complexes incorporating thiophene-2-carboxylate (2-TPC) and 2-amino-4,6-dimethoxypyrimidine (OMP) ligands have been synthesized and characterized by X-ray diffraction studies, namely (2-amino-4,6-dimethoxypyrimidine-κN)aquachlorido(thiophene-2-carboxylato-κO)cobalt(II) monohydrate, [Co(C5H3O2S)Cl(C6H9N3O2)(H2O)]·H2O, (I), and catena-poly[copper(II)-tetrakis(μ-thiophene-2-carboxylato-κ(2)O:O')-copper(II)-(μ-2-amino-4,6-dimethoxypyrimidine-κ(2)N(1):N(3))], [Cu2(C5H3O2S)4(C6H9N3O2)]n, (II). In (I), the Co(II) ion has a distorted tetrahedral coordination environment involving one O atom from a monodentate 2-TPC ligand, one N atom from an OMP ligand, one chloride ligand and one O atom of a water molecule. An additional water molecule is present in the asymmetric unit. The amino group of the coordinated OMP molecule and the coordinated carboxylate O atom of the 2-TPC ligand form an interligand N-H...O hydrogen bond, generating an S(6) ring motif. The pyrimidine molecules also form a base pair [R2(2)(8) motif] via a pair of N-H...N hydrogen bonds. These interactions, together with O-H...O and O-H...Cl hydrogen bonds and π-π stacking interactions, generate a three-dimensional supramolecular architecture. The one-dimensional coordination polymer (II) contains the classical paddle-wheel [Cu2(CH3COO)4(H2O)2] unit, where each carboxylate group of four 2-TPC ligands bridges two square-pyramidally coordinated Cu(II) ions and the apically coordinated OMP ligands bridge the dinuclear copper units. Each dinuclear copper unit has a crystallographic inversion centre, whereas the bridging OMP ligand has crystallographic twofold symmetry. The one-dimensional polymeric chains self-assemble via N-H...O, π-π and C-H...π interactions, generating a three-dimensional supramolecular architecture.

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“…A structural analysis of the crystalline reaction product showed the formation of an unexpected compound. The crystal structures of the hydrochloride and hydrobromide of a simpler derivative of benzimidazole have been reported earlier [3]. The title compound is the hydrochloride salt of a symmetric derivative of ethylene bearing a benzimidazole substituent on each carbon atom.…”

Section: Atom Sitementioning

confidence: 97%

Crystal structure of 2-((E)-2-(1H-benzo[d]imidazol-2-yl)vinyl)-1H-benzo[d]imidazolium dichloride dihydrate, C16H18Cl2N4O2

Schoultz

Gerber

Hosten

2015

Zeitschrift Für Kristallographie - New Crystal Structures

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C 16 H 18 Cl 2 N4O 2 , monoclinic, P21/c (no. 14), a = 8.8369(3) Å, b = 11.4750(4) Å, c = 8.8258(3) Å, β = 95.958(2)°, V = 890.1 Å 3 , CCDC no.: 1267/4326 Source of materialThe compound was prepared upon reacting the two-fold symmeytric benzimidazole derived from 2,3-dimercaptotartaric acid with ReOCl 3 (PPh 3 ) 2 in acetonitrile. Crystals suitable for the di raction study were obtained upon free evaporation of the solvent at ambient conditions. Experimental detailsCarbon-bound H atoms were placed in calculated positions (C-H 0.95 Å) and were included in the re nement in the riding model approximation, with U iso (H) set to 1.2Ueq(C).

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A Novel Hydrogen-Bonded Duplex Made up of Water Molecules and Halide Ions in the Sandwich Inclusion Structures of (C10H8N3S)+·X·2H2O [X = Cl−, Br−]

Cited by 10 publications

References 8 publications

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

Supramolecular architectures in Co^IIand Cu^IIcomplexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands

Crystal structure of 2-((E)-2-(1H-benzo[d]imidazol-2-yl)vinyl)-1H-benzo[d]imidazolium dichloride dihydrate, C16H18Cl2N4O2

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A Novel Hydrogen-Bonded Duplex Made up of Water Molecules and Halide Ions in the Sandwich Inclusion Structures of (C10H8N3S)+·X·2H2O [X = Cl−, Br−]

Cited by 10 publications

References 8 publications

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

4-(4-Bromophenyl)-2-methyl-1,3-thiazole

Supramolecular architectures in CoIIand CuIIcomplexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands

Crystal structure of 2-((E)-2-(1H-benzo[d]imidazol-2-yl)vinyl)-1H-benzo[d]imidazolium dichloride dihydrate, C16H18Cl2N4O2

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Supramolecular architectures in Co^IIand Cu^IIcomplexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands