In the title cholestane derivative, C(28)H(48) [systematic name: (1S,2S,7R,10R,11R,14R,15R)-2,5,10,15-tetra-methyl-14-[(2R)-6-methyl-heptan-2-yl]tetra-cyclo-[8.7.0.0(2,7).0(11,15)]hepta-dec-4-ene], the cyclo-hexene ring adopts a half-chair conformation. The parent 5α-cholest-2-ene and the equivalent fragment of the title compound are almost superimposable (r.m.s. deviation = 0.033 Å).
The deprotonated Schiff base ligand in the title compound, [Ni(C(8)H(8)N(3)O(2)S)(C(18)H(15)P)]Cl, functions as an N,O,S-chelating anion to the phosphine-coordinated Ni atom, which exists in a distorted square-planar geometry. The hy-droxy group forms an intra-molecular O-H⋯O hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.
The metal atom in the title compound, [Cd(C(15)H(13)N(2)O(4))(2)]·2C(2)H(6)OS, is twice O,N,O'-chelated by two symmetry-related Schiff base ligands to define a trans-N(2)O(4) octa-hedral geometry. Each anion occupies meridional sites of the octa-hedron; the metal atom lies on a special position of site symmetry 2. The dimethyl sulfoxide mol-ecule is a hydrogen-bond acceptor to the -NH- unit, and O-H⋯O hydrogen bonds link mol-ecules into a supra-molecular chain.
The dianion of the title salt, 2C(5)H(6)N(+)·C(12)H(6)N(2)O(4)S(2) (2-), lies on a special position of 2 site symmetry that relates one thio-nicotinate part to the other, and the dihedral angle between the niotinate planes is 89.2 (2)°. The pyridinium cations are hydrogen bonded to the carboxyl-ate group by way of N-H⋯O links.
In the title anhydro-scymnol tetra-acetate, C(35)H(54)O(9), the fused chair conformation of the cyclo-hexane A/B ring junction is cis with a 5β-H configuration. The compound has a trimethyl-ene oxide ring at position 24,26 and four acetate groups at the 3α,7α,12α,27 positions.
In the title steroid derivative, C(23)H(37)IO, the fused cyclo-propane unit that comprises part of the A ring has a β-configuration, and the associated cyclo-pentane ring has an envelope conformation.
In the title compound (5S,8R,9R,10R,13S,14S,17R,20R)-24-bromo-5β-cholane, C(24)H(41)Br, the fused-chair conformation of the cyclo-hexane A/B ring junction is cis with a 5β-H configuration.
Each of the two independent mol-ecules of the title comound, C(14)H(20)N(2)O(3), exists in the zwitterionic form as the imino N atoms are protonated. The =N-H unit forms an intra-molecular hydrogen bond to the negatively charged O atom, and also a weaker intermolecular N-H⋯O bond, the latter resulting in inversion dimers.
In the title ion-pair, C(22)H(29)Cl(2)N(4)O(2) (+)·C(2)F(3)O(2) (-), ammonium-carboxyl-ate N-H⋯O hydrogen bonds link two cations and two anions about a centre of inversion to generate a hydrogen-bonded tetramer. In the cation, one of the imino N atoms is protonated and donates a hydrogen bond to the O atom of the adjacent chloro-phenyl ring. The other imino N atom acts as a hydrogen-bond acceptor from a phenolate O atom.
In the crystal structure of the title compound, [Cu(2)(C(2)H(3)O(2))(4)(C(12)H(12)N(2))(2)], the binuclear mol-ecule lies about a center of inversion; the four acetate groups each bridge a pair of Cu(II) atoms. The coordination of the metal atom is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. The pyridine ring is twisted with respect to the benzene ring at a dihedral angle of 45.68 (16)°. Intra-molecular N-H⋯O hydrogen bonding is present between the imino and carb-oxy groups.
In the toluene hemisolvated tripodal tris-(2-amino-ethyl)amine Schiff base, C(30)H(33)Cl(3)N(4)O(3)·0.5C(7)H(8), one of the three imino N atoms is protonated, forming a hydrogen bond with the O atom at an adjacent benzene ring. The other two imino N atoms act as hydrogen-bond acceptors from phenolate OH groups. The toluene solvent mol-ecule is disordered about a centre of inversion.
The title Schiff base, C(14)H(14)N(2)O(2), is close to being planar (r.m.s. deviation for the non-hydrogen atoms = 0.052 Å) and an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, the moleucles are linked by O-H⋯O hydrogen bonds, giving rise to helical chains propagating along the c axis of the tetra-gonal unit cell.
In the crystal structure of the title compound, C(18)H(12)N(2)O, the dihedral angle between the two fused-ring systems is 84.3 (1) °; the C-O-C angle at the ether O atom is 117.31 (18)°.
There are two molecules in the asymmetric unit of the title compound, C(10)H(9)N(3), with inter-ring dihedral angles of 31.1 (1) and 35.3 (1)°. The bridging C-N-C bond angles are 128.2 (1) and 129.1 (1)°. In the crystal, the two independent mol-ecules are linked into a dimer by two N-H⋯N hydrogen bonds.
Triphenyltin coumarin-3-carboxylate and its coordination complexes with ethanol, triphenylphosphine oxide, triphenylarsine oxide, diphenylcyclopropenone and quinoline N-oxide exhibited high in vitro cytotoxicity (LC(50) values in the range 0.25-3.4 mug/mL) when tested against EBV-DNA positive Raji cells and P-388 leukaemia cells, compared to the standard drug 5-Fluorouracil, which showed LC(50) values of 11 and >50 mug/mL, respectively, against these cells. Additional tests performed on the Raji cells incubated with the quinoline N-oxide complex in the presence of the tumour promoters, TPA and sodium butyrate, revealed that the diffused and restricted protein components of the early antigen complex were suppressed relative to the control containing only the promoters, indicating impaired function of the genes involved as transactivators in the early lytic cycle of the EBV. The failure of the restriction enzymes Eco R1 and Hind III to cleave the extracted DNA from such treated cells in contrast to the control, coupled with the amplification of the BMLF-1 gene by the PCR technique which was realised only with the DNA of the control and not of the treated sample, point to a punitive interaction of the organotin with the nuclear DNA of the Raji cells.
The asymmetric unit of the crystal structure of the title compound, [Ni(C(14)H(19)N(2)O(3))(2)], contains two independent Ni(II) complex mol-ecules, with the metal atoms each located on a center of inversion. Each metal atom is chelated by two Schiff base anions in a distorted square-planar coordination environment.
In the title steroid derivative, C(25)H(40)O(3), the fused cyclo-propane unit that corresponds to a part of the A ring has a β-configuration and the associated cyclo-pentane ring an envelope-shaped conformation.
The Sn(IV) atom in the title compound, [Sn(CH(3))(2)(C(18)H(11)ClN(2)O(3))], shows a trans-C(2)NO(2)Sn trigonal-bipyramidal coordin-ation; the axial O-Sn-O angle is 155.22 (5)°. The tridentate N'-(5-chloro-2-oxidobenzyl-idene)-3-hydr-oxy-2-naphthohydrazidate dianion is stabilized by an intra-molecular O-H⋯N hydrogen bond.
The benzohydrazide mol-ecule of the title compound, C(14)H(11)N(3)O(7)·H(2)O, is planar (r.m.s. deviation = 0.068 Å). The benzohydrazide mol-ecule and the uncoordinated water mol-ecule inter-act through O-H⋯O hydrogen bonds; these together with O-H⋯N and N-H⋯O hydrogen bonds form a three-dimensional network.
The benzohydrazide mol-ecule in the title dihydrate, C(14)H(11)ClN(2)O(5)·2H(2)O, is non-planar, with the two aromatic rings at either side of the -C(=O)-NH-N=CH- unit forming a dihedral angle of 29.7 (2)°. The benzohydrazide mol-ecule is linked to the water mol-ecules by O-H⋯O and N-H⋯O hydrogen bonds, with other O-H⋯O hydrogen bonds leading to a layer structure.