[Cu(H4C3N2S)Cl2]n, an Unprecedented Diazole-Bridged One-Dimensional Copper Halide:  Synthesis, Structure, and Magnetic Properties

Song, Junlei; Dong, Z.-C.; Zeng, Hui; Zhou, Weinan; Naka, Takashi; Wei, Qiang; Mao, Jiang Gao; Huang, Jin Shun

doi:10.1021/ic025976m

Cited by 33 publications

(16 citation statements)

References 24 publications

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“…Nitrogen atoms from two thiadiazole ligands occupy the apical sites (d(Cu1-N4) =1 .995(2) Å). All Cu-O and Cu-N bond distances are within the range expected for such bonds [6,7]. Obviously, only the Natoms of the thiadiazole ligands coordinate to Cu 2+ ion.…”

Section: Discussionmentioning

confidence: 60%

“…Theflexiblebisthiadiazolealkanes, as 2,2'-[butylene-1,4-dithio]-bis(5-methyl-1,3,4-thiadiazole), bearing alkyl spacer (-CH 2 -) 4 , are good candidates for N-donor linkers [6,7].The flexible nature of the (-CH 2 -) 4 spacer allows the molecules to bend and rotate freely when binding to metal centers and adjust to the coordinative ability of metal ions. The asymmetric unit of the title crystal structure consists of ahalf Cu 2+ ion, ah alf 2,2'-[butylene-1,4-dithio]bis(5-methyl-1,3,4-thiadiazole) ligand, and one 2,4,6-trinitrophenolate (picrate) ligand.…”

Section: Discussionmentioning

confidence: 99%

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Crystal structure of catena-{2,2'-[butylene-1,4-dithio]bis(5-methyl- 1,3,4-thiadiazole)}bis(2,4,6-trinitrophenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2

Wang¹,

Zhang²,

Hu³

2011

Zeitschrift Für Kristallographie - New Crystal Structures

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Source of materialThe reaction of 2,2'-[butylene-1,4-dithio]bis(5-methyl-1,3,4-thiadiazole) (0.1 mmol) with Cu(Pic) 2 × 4H 2 O( 0.1 mmol) in MeOH (10 mL)for afew minutes afforded alight blue solid. It was filtered, washed with acetone, and dried in air. Thes ingle crystals suitable for X-ray analysis were obtained by slow diffusion of Et 2 Ointo the acetonitrile solution of the solid. DiscussionMetal-organic frameworks (MOFs) are continuously studied because of their intriguing structural architectures and topologies, as well as their potential applications as functional materials in the fields of nonlinear optics, magnetism,molecular separation, catalysis, luminescence, and gas sorption [1,2]. In principle, the most effective approach for the construction of MOFs is to rationally modify the building blocks and to control the assembled motifs for required products via selecting appropriate organic ligands [3][4][5].Theflexiblebisthiadiazolealkanes, as 2,2'-[butylene-1,4-dithio]-bis(5-methyl-1,3,4-thiadiazole), bearing alkyl spacer (-CH 2 -) 4 , are good candidates for N-donor linkers [6,7].The flexible nature of the (-CH 2 -) 4 spacer allows the molecules to bend and rotate freely when binding to metal centers and adjust to the coordinative ability of metal ions. The asymmetric unit of the title crystal structure consists of ahalf Cu 2+ ion, ah alf 2,2'-[butylene-1,4-dithio]bis(5-methyl-1,3,4-thiadiazole) ligand, and one 2,4,6-trinitrophenolate (picrate) ligand. Each Cu 2+ ion is six-coordinated with a{ CuN 2 O 4 }d istorted octahedral environment. Four oxygen atomsf rom two picrate ligands occupy the equatorial plane (d(Cu1-O1) = 1.931(2) Åa nd d(Cu1-O7) =2 .5789(7) Å). Nitrogen atoms from two thiadiazole ligands occupy the apical sites (d(Cu1-N4) =1 .995(2) Å). All Cu-O and Cu-N bond distances are within the range expected for such bonds [6,7]. Obviously, only the Natoms of the thiadiazole ligands coordinate to Cu 2+ ion. The thiadiazole ligands adopt a N,N-bidentate bridging mode in trans configuration for bridging the Cu 2+ ions via translationsymmetry into one-dimensional chains, with the bridged distance d(Cu-Cu)=1 2.176(3) Å. These chains aref urther interconnected with neighbouring molecules by weak intermolecular N-O×××p interactions and C-H×××Oh ydrogen bonds to generate athree-dimensional network. The centroid separation of thiadiazole rings is 9.401(3) Å. Thep icrate ligand adopts bidentate-chelating coordination mode and serves to complete the coordination sphere of the Cu 2+ ion.

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Section: Discussionmentioning

confidence: 60%

Section: Discussionmentioning

confidence: 99%

Crystal structure of catena-{2,2'-[butylene-1,4-dithio]bis(5-methyl- 1,3,4-thiadiazole)}bis(2,4,6-trinitrophenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2

Wang¹,

Zhang²,

Hu³

2011

Zeitschrift Für Kristallographie - New Crystal Structures

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“…However, the Cu2 adopts adistorted tetragonal pyramid (CuN 2O3), with two Natoms from two thiadiazole ligands and three Oatoms from three NO 3 -ions. All Cu-Nbond distances are within the range expected for such coordination [7,8]. Only the Natoms of the thiadiazole ligands coordinate to Cu centers.…”

mentioning

confidence: 58%

Crystal structure of tris{2,2′-[1,2-[methylenebis(thio)]-bis[1,3,4-thiadiazole]]}copper(II) tetranitrate — acetonitrile (1:1), Cu2(C5H4N4S4)3(NO3)4 · CH3CN

Qin¹,

Hu²

2010

Zeitschrift Für Kristallographie - New Crystal Structures

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Source of materialThe reaction of 1,2-[methylenebis(thio)]bis [1,3,4-thiadiazole] (0.2 mmol) with Cu(NO 3 ) 2 (0.1 mmol) in MeOH (10 mL) for a few minutes afforded al ight-blue solid, which was filtered, washed with acetone, and dried in air. The single crystals suitable for X-ray diffraction analysis were obtained by slow diffusion of Et 2 Ointo the acetonitrile solution. DiscussionIn recent years, the rational design of coordination polymers based on multi-topic or flexible bridging ligands as linkers and metal centers as connectors represents one of the most rapidly developing fields owing to their potential as functional materials in electronic, magnetic, optical, catalytic applications [1][2][3]. In particular, the use of flexible ligands in such studies have attracted remarkable attention because the flexibility and conformation restrainability of such ligands offer the possibility for the construction of diverse frameworks. Meanwhile, thiadiazoles have attracted increasing attention because of their potential applications in pharmaceutical, agricultural, industrial, coordination and polymer chemistry [4][5][6]. In this sense, flexible bisthiadiazole alkanes, like 2,2'-[1,2-ethanediylbis(thio)]bis [1,3,4-thiadiazole], show up as good candidates to generate one-, two-and threedimensional network [7].In the title crystal structure, the asymmetric unit consists of two Cu 2+ ions, three thiadiazole ligands, four NO3 -ions and one acetonitrile molecule. The Cu1 center has as lightly distorted octahedral environment (CuN 4 O 2 )with four Natoms from four thiadiazole ligands and two Oatoms from two NO 3 -ions in trans positions. However, the Cu2 adopts adistorted tetragonal pyramid (CuN 2O3), with two Natoms from two thiadiazole ligands and three Oatoms from three NO 3 -ions. All Cu-Nbond distances are within the range expected for such coordination [7,8]. Only the Natoms of the thiadiazole ligands coordinate to Cu centers. All thiadiazole ligands adopts a N,N-bidentate bridging mode in trans configuration and bridge the copper atoms into a two-dimensional network, with the bridged Cu···Cu distances of 10.4917(4), 10.5769(5) and 10.8052(7) Å,r espectively. The layers are further interconnected by C-H···Oand C-H···Nhydro-gen bonds into athree dimensional network. The centroid separation and dihedral angle of thiadiazole rings are 6.3441(3), 6.3445(3), 6.4678(3) Å and 69.28°,72.11°,78.39°,respectively. However, two thiadiazole rings are almost coplanar with the centroid separation of 7.8596(8) Å.A pparently, incorporation as a bridging ligand into metal-organic frameworks imparts significantly conformation changes in the thiadiazole ligand. One NO 3 -ion adopts monodentate coordination mode and serves to complete the coordination sphere of one copper atom. The other NO 3 -ion adopts bridging mode and bridge the two neighbouring copper atoms (Cu1 and Cu2), which stabilizes the network. The space between the layers is taken up by acetonitrile molecules.

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“…However, the Cu2 adopts ad istorted octahedral coordination (CuN 5 O), in which five Natoms are from five thiadiazole ligands and one Oatom is from ethanol molecule. All Cu-Nbond distances are within the range expected for such coordination bonds [7,8]. Obviously, only the Na toms of the thiadiazole ligands coordinate Cu centers.…”

mentioning

confidence: 58%

“…The layers are further interconnected to generate athree-dimensional supramolecular structure by C-H···O, C-H···Nand C-H···Shydrogen bonds. The centroid separations and dihedral angles of thiadiazole rings are 7.1637(5), 8 …”

mentioning

confidence: 99%

Crystal structure of ethanolatopenta{2,2′-[1,2-propanedithiobis( 1,3,4-thiadiazole)]}dicopper(II) tetrakisperchlorate, [Cu2(C2H5OH)(C7H8N4S4)5][ClO4]4

Qin¹,

Wang²,

Hu³

2010

Zeitschrift Für Kristallographie - New Crystal Structures

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C 37H46Cl4Cu2N20O17S20,t riclinic, P1 (no. 2), a =10.7533(9) Å, b =17.752(1) Å, c =20.349(2) Å, Source of materialThe reaction of 1,2-[propanebis(thio)]bis [1,3,4-thiadiazole] (0.25 mmol) with Cu(ClO 4 ) 2 (0.1 mmol) in MeOH (10 mL) for a few minutes afforded al ight blue solid, which was filtered, washed with acetone, and dried in air. The single crystals suitable for X-ray diffraction analysis were obtained by slow diffusion of Et 2Oi nto the acetonitrile solution of the solid. Experimental detailsThe high residual values are due to the poor quality of the crystal. PLATON treatment was performed and none solvent molecule was suggested. DiscussionIn recent years, the rational design of coordination polymers based on multi-dentate or flexible bridging ligands as linkers and metal centers as connectors represents one of the most rapidly de-Z. Kristallogr.

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[Cu(H₄C₃N₂S)Cl₂]_n, an Unprecedented Diazole-Bridged One-Dimensional Copper Halide: Synthesis, Structure, and Magnetic Properties

Cited by 33 publications

References 24 publications

Crystal structure of catena-{2,2'-[butylene-1,4-dithio]bis(5-methyl- 1,3,4-thiadiazole)}bis(2,4,6-trinitrophenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2

Crystal structure of catena-{2,2'-[butylene-1,4-dithio]bis(5-methyl- 1,3,4-thiadiazole)}bis(2,4,6-trinitrophenolate)copper(II), Cu(C10H14S4N4)(C6H2N3O7)2

Crystal structure of tris{2,2′-[1,2-[methylenebis(thio)]-bis[1,3,4-thiadiazole]]}copper(II) tetranitrate — acetonitrile (1:1), Cu2(C5H4N4S4)3(NO3)4 · CH3CN

Crystal structure of ethanolatopenta{2,2′-[1,2-propanedithiobis( 1,3,4-thiadiazole)]}dicopper(II) tetrakisperchlorate, [Cu2(C2H5OH)(C7H8N4S4)5][ClO4]4

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