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1.  Di-n-butyl­bis­(N-ethyl-N-phenyl­dithio­carbamato-κS)tin(IV) 
The title compound, [Sn(C4H9)2(C9H10NS2)2], features a tetra­hedrally coordinated SnIV atom; the dithio­carbamate ligands coordinate in a monodentate fashion, accompanied by two n-butyl chains. The non-coordinating thione S atoms are each proximate to the SnIV atom [3.0136 (7) and 2.9865 (8) Å], giving rise to distortions from the ideal geometry as evident in the wide C—Sn—C bond angle of 139.06 (12) °. In the crystal, C—H⋯S inter­actions lead to the formation of a linear supra­molecular chain along the b axis. The chains are aligned into layers by C—H⋯π inter­actions, and the layers stack along [001]. One of the ethyl groups is statistically disordered over two sets of sites.
doi:10.1107/S160053681105392X
PMCID: PMC3254340  PMID: 22259373
2.  (N-Butyl-N-phenyl­dithio­carbamato-κS)triphenyl­tin(IV) 
The title compound, [Sn(C6H5)3(C11H14NS2)], features a tetra­hedrally coordinated Sn atom, as the dithio­carbamate ligand coordinates in a monodentate fashion. Due to the proximity of the non-coordinating thione S atom, distortions from ideal tetra­hedral geometry about the metal atom are evident with the widest C—Sn—S angle being 117.26 (5)°. In the crystal, mol­ecules are linked by C—H⋯S inter­actions, which generate helical supra­molecular chains along the b axis.
doi:10.1107/S1600536811012426
PMCID: PMC3089335  PMID: 21754289
3.  (N-Ethyl-N-phenyl­dithio­carbamato-κS)triphenyl­tin(IV) 
The title compound, [Sn(C6H5)3(C9H10NS2)], has two independent mol­ecules in the asymmetric unit and each features a tetra­hedrally coordinated SnIV atom as the dithio­carbamate ligand coordinates in a monodentate fashion. As the non-coordinating thione S atom is proximate to the Sn atom [Sn⋯S(thione) = 3.1477 (6) and 2.9970 (5) Å for the independent mol­ecules], distortions from the ideal geometry are evident [the widest angle being 120.48 (5)°]. The most notable feature of the crystal packing is the formation of C—H⋯π inter­actions that lead to the formation of supra­molecular layers parallel to (2).
doi:10.1107/S1600536811053591
PMCID: PMC3254327  PMID: 22259360
4.  (2,2′-Bipyridine-κ2 N,N′)bis­(N-ethyl-N-phenyl­dithio­carbamato-κ2 S,S′)cadmium(II) chloro­form solvate 
In the title compound, [Cd(C9H10NS2)2(C10H8N2)]·CHCl3, the CdII atom exists in an all-cis distorted octa­hedral geometry. Chelation is isobidentate for one dithio­carbamate ligand and anisobidentate for the other. The chloroform solvent mol­ecule is disordered over two positions of equal occupancy.
doi:10.1107/S1600536809041294
PMCID: PMC2971268  PMID: 21578118
5.  Bis(μ-N-benzyl-N-tetra­decyl­dithio­carbamato-κ2 S:S′)bis­[(N-benzyl-N-tetra­decyl­dithio­carbamato-κ2 S,S′)zinc(II)] 
In the title compound, [Zn2(C22H36NS2)4], two bidentate dithio­carbamate groups chelate directly to the ZnII atoms, whereas the two remaining dithio­carbamate ligands bridge the Zn atoms via a crystallographic inversion centre. The Zn atoms show a strongly distorted tetra­hedral geometry. Adding the long S⋯S distance with the inversion centre being in the middle, the resulting five-coordinate geometry around the Zn atoms can be considered to be between distorted recta­ngular pyramidal and trigonal bipyramidal, with a calculated τ value of 0.31. In this dimer complex, two inversion-related tetra­decyl carbon chains exhibit all-trans conformations, and the other two chains show a cis conformation at the end of the chains.
doi:10.1107/S1600536809011155
PMCID: PMC2969063  PMID: 21582401
6.  (Bipyridine-κ2 N,N′)chlorido[N-(2-hydroxy­ethyl)-N-isopropyl­dithio­carbamato-κ2 S,S′]zinc(II) 
The ZnII atom in the title compound, [Zn(C6H12NOS2)Cl(C10H8N2)], is coordinated by a chelating N-2-hy­droxy­ethyl-N-isopropyl­dithio­carbamate ligand, a 2,2′-bipyridine ligand and a Cl atom. The resulting ClN2S2 donor set defines a distorted square-pyramidal coordination geometry. Helical supra­molecular chains sustained by O—H⋯S hydrogen bonds and propagating along the b axis feature in the crystal packing. A three-dimensional architecture is stabilized by C—H⋯O, C—H⋯S and C—H⋯Cl inter­actions.
doi:10.1107/S1600536812027626
PMCID: PMC3393212  PMID: 22807780
7.  (N-sec-Butyl-N-n-propyl­dithio­carbamato-κ2 S,S′)triphenyl­tin(IV) 
The Sn atom in the title compound, [Sn(C6H5)3(C8H16NS2)], is penta­coordinated by two S atoms, derived from an asymmetrically coordinating dithio­carbamate ligand, and three ipso-C atoms. The coordination geometry is inter­mediate between square-pyramidal and trigonal-bipyramidal, with a leaning towards the latter. The presence of close intra­molecular C—H⋯S contacts preclude the S atoms from forming significant inter­molecular inter­actions. Rather, mol­ecules are consolid­ated in the crystal structure by C—H⋯π inter­actions.
doi:10.1107/S1600536810033039
PMCID: PMC3007978  PMID: 21588542
8.  Bis(μ-N-benzyl-N-methyl­dithio­carbamato)-1:2κ3 S,S′:S′;1:2κ3 S:S,S′-bis­[bis­(N-benzyl-N-methyl­dithio­carbamato-κ2 S,S′)thallium(III)] 
The molecule of the dinuclear title compound, [Tl2(C9H10NS2)6], possesses a crystallographically imposed centre of symmetry. Each TlIII atom is seven-coordinated by S atoms of four different dithio­carbamate anions in a distorted penta­gonal-bipyramidal coordination geometry. The crystal structure is stabilized by a C—H⋯S hydrogen-bond inter­action linking complex mol­ecules into chains running parallel to the b axis. Intramolecular C—H⋯S hydrogen bonds are also present.
doi:10.1107/S1600536808021004
PMCID: PMC2961943  PMID: 21203013
9.  Bis[N,N-bis­(2-hydroxy­ethyl)dithio­carbamato-κ2 S,S′]copper(II) 
In the title compound, [Cu(C5H10NO2S2)2], the CuII cation is chelated by two bis­(2-hydroxy­ethyl)dithio­carbamate anions with a distorted square-planar coordination geometry. Inter­molecular O—H⋯O hydrogen bonding is observed between the terminal hydr­oxy groups in the crystal structure.
doi:10.1107/S160053680904999X
PMCID: PMC2971934  PMID: 21578698
10.  (2,2′-Bipyridine-κ2 N,N′)bis­(N-isopropyl-N-methyl­dithio­carbamato-κ2 S,S′)cadmium 
The CdII atom in the title compound, [Cd(C5H10NS2)2(C10H8N2)], exists in an N2S4 donor set defined by two chelating dithio­carbamate anions as well as a 2,2′-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C—H⋯S inter­actions, leading to linear supra­molecular chains along the a axis. The primary connections between these are by π–π stacking inter­actions [ring centroid distance between centrosymmetrically related pyridyl rings = 3.7455 (10) Å]. Overall, the crystal structure may be described as comprising double layers of mol­ecules that stack along the b axis.
doi:10.1107/S1600536811012414
PMCID: PMC3089361  PMID: 21754287
11.  (N-Benzyl-N-isopropyl­dithio­carbamato)chloridodiphenyl­tin(IV) 
The SnIV atom in the title organotin dithio­carbamate, [Sn(C6H5)2(C11H14NS2)Cl], is penta-coordinated by an asymmetrically coordinating dithio­carbamate ligand, a Cl and two ispo-C atoms of the Sn-bound phenyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter­mediate between square-pyramidal and trigonal-bipyramidal with a slight tendency towards the latter. The formation of close intra­molecular C–H⋯Cl and C–H⋯S contacts precludes the Cl and S atoms from forming significant inter­molecular contacts. The presence of C–H⋯π contacts leads to the formation of supra­molecular arrays that stack along the b axis.
doi:10.1107/S1600536810031636
PMCID: PMC3007920  PMID: 21588504
12.  (μ-trans-1,2-Di-4-pyridylethyl­ene-κ2 N:N′)bis­[bis­(N,N-diisopropyl­dithio­carbamato-κ2 S,S′)zinc(II)] 
The dinuclear title compound, [Zn2(C7H14NS2)4(C12H10N2)], is centrosymmetric about the central C=C bond. The five-coordinate Zn atom is bonded to two asymmetrically chelating dithio­carbamate ligands and a pyridine N atom to define an NS4 coordination geometry tending towards a square pyramid, with the N atom in the apical site. In the crystal structure, C—H⋯S contacts lead to supra­molecular chains.
doi:10.1107/S1600536809044250
PMCID: PMC2971214  PMID: 21578198
13.  (2,2′-Bipyridyl-κ2 N,N′)bis­(N-butyl-N-methyl­dithio­carbamato-κ2 S,S′)cadmium(II) 
The CdII atom in the title compound, [Cd(C6H12NS2)2(C10H8N2)], is hexa­coordinated by two dithio­carbamate ligands and the N atoms from a bidentate 2,2′-bipyridyl mol­ecule. The coordination geometry is based on a distorted trigonal–prismatic arrangement of the N2S4 donor set. Supra­molecular chains, aligned along the a-axis direction, are mediated by C—H⋯S inter­actions and these are connected into layers that stack along the c axis via π–π inter­actions [Cg(pyrid­yl)⋯Cg(pyrid­yl) = 3.6587 (13) Å].
doi:10.1107/S1600536811006878
PMCID: PMC3052129  PMID: 21522303
14.  (2,2′-Bipyrid­yl)bis­[N,N-bis­(2-hydroxy­ethyl)dithio­carbamato-κ2 S,S′]cadmium(II) 
The title compound, [Cd(C5H10NO2S2)2(C10H8N2)], features a trigonal-prismatic coordination geometry for the CdII ion, based on an N2S4 donor set defined by two chelating dithio­carbamate ligands and a 2,2′-bipyridyl ligand. In the crystal, extensive O—H⋯O hydrogen bonding results in the formation of 12-membered {⋯HO}6 synthons and one-dimensional supra­molecular chains with further O—H⋯S inter­actions providing additional stability to the linear chain with base vector [01].
doi:10.1107/S1600536809049678
PMCID: PMC2971885  PMID: 21578677
15.  Bis(μ-N,N-dimethyl­dithio­carbamato-κ3 S,S′:S)bis­[(N,N-dimethyl­dithio­carbamato-κ2 S,S′)copper(II)] 
In the centrosymmetric dimeric title compound, [Cu2(C3H6NS2)4], the CuII atom is five-coordinate in a square-pyramidal environment. The basal coordination positions are occupied by four S atoms from two dimethyl­dithio­carbamate ligands and the apical coordination position is occupied by an S atom also bonded to the other Cu atom.
doi:10.1107/S1600536809006230
PMCID: PMC2968622  PMID: 21582093
16.  Bis(N-isopropyl-N-methyl­dithio­carbamato-κ2 S,S′)(1,10-phenanthroline-κ2 N,N′)zinc 
The ZnII atom in the title compound, [Zn(C5H10NS2)2(C12H8N2)], exists in a distorted cis-octa­hedral N2S4 donor set defined by two chelating dithio­carbamate anions as well as a 1,10-phenanthroline ligand. Each of the ligands coordinates in a symmetric mode. The crystal packing is stabilized by weak C—H⋯S, C—H⋯π(ZnS2C) and π–π [ring centroid distance between centrosymmetrically related pyridyl rings = 3.5955 (13) Å] inter­actions.
doi:10.1107/S1600536811012499
PMCID: PMC3089284  PMID: 21754288
17.  Bis(N-sec-butyl-N-n-propyl­dithio­carbamato-κ2 S,S′)(1,10-phenanthroline-κ2 N,N′)zinc(II) 
Two independent but very similar mol­ecules comprise the asymmetric unit of the title compound, [Zn(C8H16NS2)2(C12H8N2)]. The N2S4 donor set about Zn is defined by two symmetrically chelating dithio­carbamate ligands and a 1,10-phenanthroline ligand. Distortions from the ideal octa­hedral coordination geometry arise from the restricted bite angles of the ligands. The main feature of the crystal packing is the formation of tetra­meric supra­molecular aggregates mediated by C—H⋯S inter­actions. Disorder was found in each of the sec-butyl groups. This was resolved over two positions in each case with the major components of the disorder having site occupancies in the range 0.551 (6)–0.725 (5).
doi:10.1107/S1600536810033672
PMCID: PMC3008025  PMID: 21588557
18.  (N-Benzyl-N-ethyl­dithio­carbamato)di-tert-butyl­chloridotin(IV) 
The SnIV atom in the title diorganotin dithio­carbamate, [Sn(C4H9)2Cl(C10H12NS2)], is penta­coordinated by an asymmetrically coordinating dithio­carbamate ligand, a Cl and two C atoms of the Sn-bound tert-butyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter­mediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former. In the crystal structure, C—H⋯π contacts link centrosymmetrically related mol­ecules into dimeric aggregates.
doi:10.1107/S1600536811006398
PMCID: PMC3051941  PMID: 21522295
19.  Bis[N-benzyl-N-(2-phenyl­eth­yl)dithio­carbamato-κ2 S,S′]lead(II) 
The mol­ecule of the title compound, [Pb(C16H16NS2)2], is located on a twofold rotation axis, which runs through the PbII atom. The two dithio­carbamate ligands coordinate the metal in a pyramidal configuration through the S atoms. The two phenyl rings of each dithocarbamate ligand are aligned at a dihedral angle of 78.4 (1)°. The mol­ecular conformation is stabilized by intra­molecular C—H⋯S inter­actions.
doi:10.1107/S1600536812036161
PMCID: PMC3435626  PMID: 22969499
20.  Redetermination of tetra­kis(N,N-diethyl­dithio­carbamato)tin(IV) 
The crystal structure of the title compound, [Sn(C5H10NS2)4], was originally determined by Harreld & Schlemper [Acta Cryst. (1971), B27, 1964–1969] using intensity data estimated from Weissenberg films. In comparison with the previous refinement, the current redetermination reveals anisotropic displacement parameters for all non-H atoms, localization of the H atoms, and higher precision of lattice parameters and inter­atomic distances. The complex features a distorted S6 octa­hedral coordination geometry for tin and a cis disposition of the monodentate dithio­carbamate ligands.
doi:10.1107/S1600536809018522
PMCID: PMC2969649  PMID: 21583036
21.  Tris(N-benzyl-N-methyl­dithio­carbamato-κ2 S,S′)(1,10-phenanthroline-κ2 N,N′)europium(III) 
In the title compound, [Eu(C9H10NS2)3(C12H8N2)], the EuIII atom exists in a distorted square-anti­prismatic coordination geometry. Both dithio­carbamate and the N-heterocyclic ligands function in a chelating mode.
doi:10.1107/S160053680904135X
PMCID: PMC2971428  PMID: 21578126
22.  (N,N-Diethyl­dithio­carbamato-κ2 S,S′)iodido(1,10-phenanthroline-κ2 N,N′)copper(II) 
The copper(II) atom in the title compound, [Cu(C5H10NS2)I(C12H8N2)], is chelated by the N-heterocycle and the dithio­carbamate anion in a slightly distorted tetragonal coordination. The tetragonal-pyramidal coorination is completed by the iodine atom in the apical position. One ethyl group is disordered over two positions with site occupancies of 0.31 (2) and 0.69 (2).
doi:10.1107/S160053680903637X
PMCID: PMC2970455  PMID: 21577735
23.  Di-tert-butyl­chlorido(N,N-dibenzyl­dithio­carbamato)tin(IV) 
The SnIV atom in the title diorganotin dithio­carbamate, [Sn(C4H9)2(C15H14NS2)Cl], is penta­coordinated by an asymmetrically coordinating dithio­carbamate ligand, a Cl atom and two C atoms of the Sn-bound tert-butyl groups. The resulting C2ClS2 donor set defines a coordination geometry inter­mediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former.
doi:10.1107/S1600536811006866
PMCID: PMC3052046  PMID: 21522304
24.  Bis[N-(2-hy­droxy­eth­yl)-N-propyl­dithio­carbamato-κ2 S,S′]bis­(4-{[(pyridin-4-yl­methyl­idene)hydrazinyl­idene]meth­yl}pyridine-κN 1)cadmium 
The complete mol­ecule of the title compound, [Cd(C6H12NOS2)2(C12H10N4)2], is generated by crystallographic inversion symmetry. The distorted octa­hedral trans-N2S4 donor set for the Cd2+ ion is defined by two symmetrically S,S′-chelating dithio­carbamate anions and two pyridine N atoms derived from two monodentate 4-pyridine­aldazine (or 4-{[(pyridin-4-yl­methyl­idene)hydrazinyl­idene}meth­yl]pyridine) mol­ecules [dihedral angle between the aromatic rings = 17.33 (8)°]. In the crystal, mol­ecules are connected into a supra­molecular chain via O—H⋯N hydrogen bonds involving the 4-pyridine­aldazine N atoms not involved in coordination to cadmium. Weak C—H⋯O and C—H⋯N links consolidate the packing.
doi:10.1107/S1600536811004508
PMCID: PMC3052135  PMID: 21522253
25.  Bis(μ-N-benzyl-N-furfuryldithio­carbamato)-1:2κ3 S,S′:S′;2:1κ3 S,S′:S′-bis­[(N-benzyl-N-furfuryldithio­carbamato-κ2 S,S′)cadmium] 
In the centrosymmetric title compound, [Cd2(C13H12NOS2)4], pairs of dithio­carbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).
doi:10.1107/S1600536811051348
PMCID: PMC3254292  PMID: 22259320

Results 1-25 (344618)