Publications by authors named "Tiekink E"

In the title compound, K(+)·C(14)H(9)O(4)S(2) (-)·C(14)H(10)O(4)S(2), the hydrogen 2,2'-dithio-dibenzoate and 2,2'-disulfane-diyl-di-ben-zoic acid species combine to provide an O(6)S(2) donor set to the potassium cation based on a cubic geometry. K⋯S [3.1733 (7) and 3.

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In the title mol-ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia-diazole and benzene rings is 73.92 (8)° and the thia-diazole group S atom is orientated towards the benzene ring, the central S-C-C-C torsion angle being 45.44 (18)°.

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The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96 (18)°.

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2-Pyridone: monoclinic polymorph.

Acta Crystallogr Sect E Struct Rep Online

November 2009

The asymmetric unit in the title compound, C(5)H(5)NO, comprises two independent but virtually identical mol-ecules of 2-pyridone, and represents a monoclinic polymorph of the previously reported ortho-rhom-bic (P2(1)2(1)2(1)) form [Penfold (1953 ▶). Acta Cryst.6, 591-600; Ohms et al.

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The asymmetric unit of the title co-crystal, 2C(13)H(10)N(2)O(3)·C(14)H(14)N(4)O(2), comprises one mol-ecule of 2-(4-hydroxy-phenyl-diazen-yl)benzoic acid and half of an N,N'-bis-(4-pyridylmeth-yl)oxamide mol-ecule as the latter is disposed about an inversion centre. The most notable feature of the crystal structure is the formation of supra-molecular chains arising from hydr-oxy-pyridine O-H⋯N contacts and amide-hydr-oxy C-H⋯O contacts. These give rise to 40-membered {⋯OH⋯NNC(4)OH⋯NC(4)NC(2)NH}(2) synthons, generating supra-molecular chains along [01].

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Two independent mol-ecules comprise the crystallographic asymmetric unit in the title anti-retroviral agent Efavirenz, C(14)H(9)ClF(3)NO(2), and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclo-propyl-ethynyl residue relative to the six-membered heterocycle: this approaches an orthogonal disposition in mol-ecule a compared to a more flattened conformation in mol-ecule b, the difference being reflected in the O(ring)-C-C-C(ethyne) torsion angles of 65 (4) and 159 (5)°, respectively. The independent mol-ecules are connected via the eight-membered {⋯HNC (O)}(2) amide synthon.

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2-C-Phenyl-erythrono-1,4-lactone.

Acta Crystallogr Sect E Struct Rep Online

November 2009

3,4-dihydr-oxy-3-phenyl-furan-2-one), C(10)H(10)O(4), features a five-membered γ-lactone ring with an envelope conformation at the C atom carrying the hydr-oxy group without the phenyl substituent. In the crystal, supra-molecular chains mediated by O-H⋯O hydrogen bonding are formed along the a-axis direction. These are consolidated in the crystal structure by C-H⋯O contacts.

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The title compound, C(13)H(16)O, comprises two fused five-membered rings. Each ring has an envelope conformation, with the ether O atom in the furan-ose ring, and the CMe(2) atom in the acetonide ring as the flap atoms. In the crystal, centrosymmetrically related mol-ecules associate via hydr-oxy-ether O-H⋯O hydrogen bonds and the resulting dimers are linked into a supra-molecular chain with a flattened topology via C-H⋯O(hydr-oxy) contacts, and aligned in the a-axis direction.

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In the title compound, C(13)H(22)O(4), the acetonide ring adopts an envelope conformation with one of the O atoms as the flap atom, whereas a twisted conformation is found for the furan-ose ring. Centrosymmetric eight-membered {⋯OCOH}(2) synthons involving the hydr-oxy H and acetonide O atoms are found in the crystal structure. These are linked into a supra-molecular chain in the a-axis direction via C-H⋯O contacts.

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In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(-)·H(2)O, the quinolin-ium core is essentially planar (r.m.s.

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In the title compound, C(16)H(14)N(2)O(2), the conformation about the C=C bond is E, and the two amide groups are effectively orthogonal [the C-N-N-C torsion angle is 104.5 (2)°]. In the crystal structure, the amide groups groups associate via N-H⋯O hydrogen bonding, forming supra-molecular tapes with undulating topology along the c-axis direction.

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The title compound, C(14)H(11)NO(2), features an essentially planar mol-ecule, the r.m.s.

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In the methanol solvate of the title 1:1 cocrystal, C(29)H(28)F(6)N(4)OS·C(5)H(9)NO(2)·CH(4)O, the l-proline mol-ecule exists as a zwitterion. In the crystal, the disubstituted thio-urea, l-proline and methanol mol-ecules are linked by N-H⋯O and N-H⋯N hydrogen bonds, forming a two-dimensional array in the ab plane.

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The title compound, C(14)H(12)N(2)O(2), is an ortho-rhom-bic polymorph of the previously reported monoclinic form [Bakir et al. (2005 ▶). Acta Cryst.

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The title compound, [Au(C(8)H(7)ClNOS)(C(18)H(15)P)], is characterized by a linear S,P-donor set with a small deviation from the ideal linearity [S-Au-P = 175.14 (5)°] due to the close approach of the O atom to the Au atom [Au⋯O = 2.882 (3) Å].

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The title compound, [Au(C(9)H(9)ClNOS)(C(18)H(15)P)], features a linear S,P-donor set with a small deviation from the ideal linear geometry due to the proximity of the meth-oxy O atom to Au [Au⋯O = 2.986 (4) Å].

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The title complex, [Cd(C(6)H(12)NOS(2))(2)(C(10)H(8)N(2))]·CH(3)CN, features a distorted octa-hedral N(2)S(4) geometry for the Cd(II) centre defined by a pair of asymmetrically chelating dithio-carbamate ligands as well as a 2,2'-bipyridine ligand. Supra-molecular chains along [001] are formed in the crystal structure, mediated by O-H⋯S hydrogen bonds; the acetonitrile solvent mol-ecules are associated with the chains via O-H⋯N hydrogen bonds.

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The title compound, [Cd(C(5)H(10)NO(2)S(2))(2)(C(10)H(8)N(2))], features a trigonal-prismatic coordination geometry for the Cd(II) ion, based on an N(2)S(4) donor set defined by two chelating dithio-carbamate 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 supra-molecular chains with further O-H⋯S inter-actions providing additional stability to the linear chain with base vector [01].

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The title compound, [Au(C(9)H(9)ClNOS)(C(18)H(15)P)], reveals a near linear geometry for the Au atom defined by a S,P-donor set [S-Au-P = 175.86 (3)°]. The deviation from linearity is ascribed to the proximate O atom derived from the thio-carbamato anion [Au⋯O = 2.

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In the title compound, [Au(C(8)H(7)ClNOS)(C(18)H(15)P)], the Au(I) atom has a near-linear geometry, defined by an S,P-donor set [S-Au-P = 175.09 (5)°]. The proximity of the meth-oxy O atom to Au may be responsible for the deviation from linearity [Au⋯O = 2.

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In the title compound, [HgCl(2)(C(12)H(6)N(2)O(2))(2)], the Hg(II) atom is located on a twofold rotation axis and exists within a distorted octa-hedral geometry defined by a cis-Cl(2)N(4) donor set. Mol-ecules are connected into layers in the ac plane via extensive C-H⋯Cl contacts as each Cl atom forms two such inter-actions. Contacts between the layers are of the type C=O⋯π [O⋯centroid distance = 3.

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In the title compound, [Sn(C(5)H(9)O(2))(2)(C(3)S(5))], the immediate environment around the Sn centre is defined by two S and two C atoms that define an approximately tetra-hedral geometry. The close approach of the pendant carbonyl O atoms [Sn-O = 2.577 (3) and 2.

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The title compound, [Au(C(10)H(12)NOS)(C(18)H(15)P)], features a linear geometry for the Au atom defined by the S and P donor atoms. A small deviation from the ideal geometry is noted and is ascribed to an intra-molecular Au⋯O contact [2.936 (4) Å].

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In the title compound, [Au(2)Fe(C(11)H(14)NOS)(2)(C(17)H(14)P)(2)], the Fe(II) atom is located on a crystallographic centre of inversion. For the Au(I) atom, the deviation from linearity defined by its S,P-donor set [S-Au-P = 178.17 (8) Å] is due to an intra-molecular Au⋯O contact [3.

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The Sn atom in the title compound, [Sn(C(6)H(5))(2)(C(3)S(5))(C(2)H(6)OS)], exists within a distorted trigonal-bipyramidal geometry defined by two S atoms of the 1,2-dithiole-3-thione-4,5-dithiol-ate dianion, two ipso-C atoms from the phenyl groups, and the O atom of the dimethyl sulfoxide mol-ecule. In this description, one of the S atoms and the O occupy axial positions. In the crystal, centrosymmetrically related mol-ecules associate via pairs of C-H⋯S contacts, forming dimeric aggregates.

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