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1.  3-Methyl-5-methyl­sulfanyl-1,3,4-thia­diazole-2(3H)-thione 
The title compound, C4H6N2S3, has two very similar mol­ecules per asymmetric unit. The nine non-H atoms in each mol­ecule are coplanar, both having comparable r.m.s. deviations of 0.002 Å. The main inter­est in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding inter­actions of various kinds, viz. S⋯S, C—H⋯π, π–π [centroid–centroid distance = 3.8958 (13) Å] and C—S⋯π [3.7271 (11) Å], which act as the major driving force for the arrangement of mol­ecules in the structure. The role of long, though highly directional, S⋯S contacts (d > 3.60 Å), and their relevance to the stability of the structure is discussed.
PMCID: PMC3470395  PMID: 23125808
2.  Bis(2,S-dimethyl­dithio­carbazate-κ2 N 3,S)(nitrato-κO)copper(II) nitrate 
The title complex, [Cu(NO3)(C3H8N2S2)2]NO3, represents a low-symmetry polymorph (P-1, Z = 4) of a previously reported form [P-1, Z = 2; Ali et al. (2011 ▶). Polyhedron, 30, 542–548]. The CuII atom in each independent cation is found within a distorted square-pyramidal N2S2O coordination geometry defined by two N,S-bidentate ligands and an O atom derived from a monodentate nitrate. The primary difference between the cations is found in the relative orientations of the coordinated nitrate groups, which are directed to opposite sides of the mol­ecule. Supra­molecular layers along [110] and sustained by N—H⋯O inter­actions feature in the crystal packing. These are connected along the c axis by C—H⋯O inter­actions.
PMCID: PMC3379110  PMID: 22719331
3.  cis-(Nitrato-κ2 O,O′)(2,5,5,7,9,12,12,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N,N′,N′′,N′′′)cadmium nitrate hemihydrate 
The CdII atom in the title complex, [Cd(NO3)(C18H40N4)]NO3·0.5H2O, is coordinated within a cis-N4O2 donor set provided by the tetra­dentate macrocyclic ligand and two O atoms of a nitrate anion; the coordination geometry is distorted octa­hedral. The lattice water mol­ecule is located on a twofold rotation axis. N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions link the complex cations into a supra­molecular layer in the bc plane. Layers are connected by O—H⋯O hydrogen bonds between the lattice water mol­ecule and the non-coordinating nitrate anion, as well as by weak C—H⋯O contacts.
PMCID: PMC3343882  PMID: 22589850
4.  Benzyl 2-methyl-3-[(E)-(thio­phen-2-yl)methyl­idene]dithio­carbazate 
In the title compound, C14H14N2S3, the thione S atom and methyl group are syn, as are the two thio­ether S atoms. The mol­ecule is twisted, the dihedral angles between the central (C2N2S2) residue and the pendent 2-thienyl and phenyl rings being 21.57 (6) and 77.54 (3)°, respectively. In the crystal, mol­ecules assemble into a three-dimensional architecture via C—H⋯π inter­actions, involving both the five- and six-membered rings as acceptors, as well as S⋯S inter­actions [3.3406 (5) Å] between centrosymmetrically related 2-thienyl rings.
PMCID: PMC3344150  PMID: 22606153
5.  5,7,7,12,14,14-Hexamethyl-4,11-diaza-1,8-diazo­niacyclo­tetra­decane bis­(perchlorate) monohydrate 
In the title hydrated salt, C16H38N4 2+·2ClO4 −·H2O, the dication is protonated at the diagonally opposite N atoms proximate to the –C(CH3)2– groups. Within the cavity, there are two ammonium–amine N—H⋯N hydrogen bonds. Supra­molecular layers are formed in the crystal packing whereby the water mol­ecule links two perchlorate anions, and the resultant aggregates are connected to the dications via N—H⋯O hydrogen bonds. Layers, with an undulating topology, stack along the a axis being connected by C—H⋯O inter­actions.
PMCID: PMC3344117  PMID: 22606120
6.  Dichlorido[(4E,11E)-5,7,12,14-tetra­benzyl-7,14-dimethyl-1,4,8,11-tetra­aza­cyclo­tetra­deca-4,11-diene]cobalt(III) perchlorate 
The CoIII atom in the title complex, [CoCl2(C40H48N4)]ClO4, is octa­hedrally coordinated within a trans-Cl2N4 donor set provided by the tetra­dentate macrocylic ligand and two chloride ions. The N—H atoms, which are orientated to one side of the N4 plane, form hydrogen bonds with chloride ions and perchlorate-O atoms. These along with C—H⋯O inter­actions consolidate the three-dimensional crystal structure. One of the benzene rings was disordered. This was resolved over two positions with the major component of the disorder having a site-occupancy factor of 0.672 (4).
PMCID: PMC3238638  PMID: 22199529
7.  (Acetato-κO)(2,5,5,7,9,12,12,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N,N′,N′′,N′′′)zinc perchlorate 
The ZnII atom in the cation of the title salt, [Zn(C2H3O2)(C18H40N4)]ClO4, is five-coordinated by the four N atoms of the macrocycle and the O atom of the monodentate acetate ligand. The N4O donor set is based on a trigonal bipyramid with two N atoms occupying axial positions [N—Zn—N = 170.89 (16)°]. The perchlorate anions are associated with the cations via N—H⋯O hydrogen bonds; intra­molecular N—H⋯O(acetate) inter­actions are also observed. The neutral aggregates are connected into an helical chain along the b axis via N—H⋯O(acetate) hydrogen bonds. The perchlorate anion was found to be disordered about a pseudo-threefold axis: the major component of the disorder had a site occupancy factor of 0.692 (11).
PMCID: PMC3238594  PMID: 22199485
8.  [(4E,11E)-5,7,12,14-Tetra­benzyl-7,14-dimethyl-1,4,8,11-tetra­aza­cyclo­tetra­deca-4,11-diene]copper(II) bis(per­chlorate) 
The complete cation in the title compound, [Cu(C40H48N4)](ClO4)2, is generated by the operation of a crystallographic centre of inversion. The CuII ion exists in a tetra­gonally distorted trans-N4O2 coordination geometry defined by the four N atoms of the macrocyclic ligand and two weakly bound perchlorate-O atoms from two anions. The N—H atoms form intra­molecular N—H⋯O(perchlorate) hydrogen bonds. Disorder was resolved in the –CH2–NH– portion of the macrocycle with the major component having a site-occupancy factor of 0.570 (6).
PMCID: PMC3246995  PMID: 22219815
9.  3,10-C-meso-3,5,7,7,10,12,14,14-Octa­methyl-4,11-diaza-1,8-diazo­niacyclo­tetra­decane bis­(perchlorate) 
The structure determination of the title salt, C18H42N4 2+·2ClO4 −, reveals that protonation has occurred at diagonally opposite amine N atoms. Intra­molecular N—H⋯N hydrogen bonds stabilize the conformation of the dication. In the crystal, the dications are bridged by perchlorate ions via N—H⋯O hydrogen bonds into supra­molecular chains propagating along the c axis and weak C—H⋯O inter­actions cross-link the chains.
PMCID: PMC3007925  PMID: 21588572
10.  Synthesis, Characterisation and Anti-Fungal Activities of Some New Copper(II) Complexes of Octamethyl Tetraaza-Cyclotetradecadiene 
Metal-Based Drugs  1999;6(6):345-354.
The ligand Me8[14]diene, L, in its free state as well as in the dihydroperchlorate form, L.2HClO4, coordinates copper(ll) in different salts to yield a series of [CuLXx] Xy(H2O)z complexes where X = NO3, ClO4, NCS, Cl and Br; x and y may have values of 0 or 2 and z = 0, 1 or 2. The complex, [CuL(ClO4)2].2H2O is found to undergo axial ligand substitution reactions with SCN-, NO3 and Cl- to give a variety of substitution derivatives: [CuL(ClO4)m Xn] where X = NCS, NO3 and Cl; m = 0 or 1, and n = 1 or 2. The complexes .have been characterised on the basis of analytical, spectroscopic, magnetic and conductance data. The anti-fungal activities of the ligand and its complexes have been investigated against a range of phytopathogenic fungi.
PMCID: PMC2365183  PMID: 18475911
11.  Synthesis, Characterisation and Antifungal Activities of Some New Copper(II) Complexes of Isomeric 3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-Tetraazacyclotetradecanes 
Metal-Based Drugs  1997;4(5):255-265.
Three isomeric Me8[14]anes, LA, LB and LC, undergo complexation with copper(II) salts to form a series of [CuLXn(H2O)x]Xy.(H2O)z complexes where L = LA, LB and LC; X = Cl, Br, NO3; n, x, y and z may have values of 0, 1 or 2. The complexes have been characterised on the basis of analytical, spectroscopic, magnetic and conductance data. Further, the X-ray crystal structure of one complex, [CuLB(OH2)2](NO3)2, has been determined. The antifungal activity of all three isomeric ligands and their complexes has been investigated against a range of phytopathogenic fungi.
PMCID: PMC2365080  PMID: 18475797

Results 1-11 (11)