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Tricyclo-hex-yl{2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]acetato-?O}tin(IV).

ABSTRACT: The title compound, [Sn(C(6)H(11))(3)(C(17)H(25)O(3)S)], exists as a monomeric mol-ecule with the Sn(IV) atom in a distorted tetra-hedral C(3)O coordination geometry. The presence of two bulky tert-butyl groups on the carboxyl-ate prevents any hydrogen-bonding inter-actions involving the hy-droxy group.

SUBMITTER: Lee SM

PROVIDER: S-EPMC3007050 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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Tricyclo-hex-yl{2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]acetato-κO}tin(IV).

Lee See Mun SM Mohd Ali Hapipah H Lo Kong Mun KM

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

The title compound, [Sn(C(6)H(11))(3)(C(17)H(25)O(3)S)], exists as a monomeric mol-ecule with the Sn(IV) atom in a distorted tetra-hedral C(3)O coordination geometry. The presence of two bulky tert-butyl groups on the carboxyl-ate prevents any hydrogen-bonding inter-actions involving the hy-droxy group. ...[more]

PMID: 21587716

Similar Datasets

catena-Poly[[triphenyl-tin(IV)]-?-2-[(3,5-di-tert-butyl-4-hydroxy-benz-yl)sulfan-yl]acetato-?O:O'].

Project description:The title compound, [Sn(C(6)H(5))(3)(C(17)H(25)O(3)S)](n), comprises two symmetry-independent five-coordinated triphenyl-tin mol-ecules which are linked by carboxyl-ate bridges into a polymeric chain. The Sn(IV) atom is in a distorted trans-C(3)SnO(2) trigonal-bipyramidal geometry. The presence of two bulky tert-butyl groups on the benzene ring prevents any hydrogen-bonding inter-actions involving the hydroxyl substituents.

| S-EPMC2969233 | biostudies-literature

Di-n-butyl-ammonium 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]benzoate.

Project description:The title salt, C(8)H(20)N(+)·C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carb-oxy-lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl-amine, yielding the di-n-butyl-ammonium carboxyl-ate salt. The structure of the carboxyl-ate anion resembles that of the parent carb-oxy-lic acid. The main difference lies in the position of the H atom in the 4-hy-droxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl-ate group of a symmetry-related anion. In addition, there are three N-H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°.

| S-EPMC3007956 | biostudies-literature

Tricyclo-hex-yl(3,5-dibromo-2-hy-droxy-benzoato-κO)tin(IV).

Project description:In the title compound, [Sn(C(6)H(11))(3)(C(7)H(3)Br(2)O(3))], the Sn atom is four-coordinate and possesses a distorted Sn(C(3)O) tetra-hedral geometry, with Sn-C bond lengths in the range 2.132 (6)-2.144 (6) Å and with Sn-O = 2.086 (4) Å. The uncoordinated carboxyl-ate O atom forms a weak contact with the Sn atom, with an Sn⋯O separation of 2.962 (2) Å.

| S-EPMC3151973 | biostudies-literature

2-[(3,5-Di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]benzoic acid.

Project description:In the title compound, C(22)H(28)O(3)S, the dihedral angle between the two aromatic rings is 80.56?(6)°. The hy-droxy group is shielded by the two sterically hindered tert-butyl groups and therefore is not involved in any hydrogen bonding. The C-O-H fragment is coplanar with the aromatic ring, the dihedral angle between them being 7(5)°. In the crystal structure, pairs of mol-ecules are hydrogen bonded across crystallographic centers of symmetry.

| S-EPMC3006858 | biostudies-other

Methyl 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]pyridine-3-carboxyl-ate n-hexane hemisolvate.

Project description:The title solvated ester, C(22)H(29)NO(3)S·0.5C(6)H(14), crystallizes with two independent mol-ecules along with a hexane mol-ecule in the asymmetric unit. The two aromatic rings are separated by an -CH(2)-S- linkage; the rings are aligned at 83.27?(4)° in one mol-ecule and 47.66?(7)° in the other. The hy-droxy group of one mol-ecule forms an O-H?O hydrogen bond to the other mol-ecule.

| S-EPMC3379213 | biostudies-literature

2-[(3,5-Di-tert-butyl-4-hydroxy-benz-yl)-sulfan-yl]-N'-isopropyl-ideneaceto-hydrazide.

Project description:The title compound, C(20)H(32)N(2)O(2)S, the condensation product of a thio-acetohydrazine and acetone, has a two-coordinate S atom and the angle at this atom is 100.7?(1)°. The (CH(3))C=N-NH-C(O)- substituent engages in N-H?O hydrogen-bonding inter-actions with the substituent of an adjacent mol-ecule across a center of inversion, generating a dimeric structure.

| S-EPMC2968854 | biostudies-other

2-(3,5-Di-tert-butyl-4-hydroxy-benzyl-sulfan-yl)nicotinic acid.

Project description:Two mol-ecules of the title compound, C(21)H(27)NO(3)S, are disposed about a center of inversion, generating an O-H?O hydrogen-bonded dimer.

| S-EPMC2960523 | biostudies-literature

Di-n-butyl-ammonium 2-(3,5-di-tert-butyl-4-hydroxy-benzyl-sulfan-yl)nicotinate.

Project description:The asymmetric unit of the title compound, C(8)H(20)N(+)·C(21)H(26)NO(3)S(-), contains two indpendent ion pairs which are disposed about a psuedo-inversion center, generating an ammonium-carboxylate N-H?O hydrogen-bonded four-component cluster. In the crystal structure, adjacent clusters are linked by hydr-oxy-carboxylate O-H?O hydrogen bonds, forming a chain.

| S-EPMC2960651 | biostudies-literature

{[(N-Butyl-N-methylcarbamothioyl)sulfanyl]acetato-?O}tris(2-chloro-benz-yl)tin(IV).

Project description:The Sn atom in the title compound, [Sn(C(7)H(6)Cl)(3)(C(8)H(14)NO(2)S(2))], is coordinated by three chlorobenzyl ligands and one carboxylate O atom of the substituted acetate ligand in a distorted tetra-hedral environment. Three of the C atoms of the n-butyl group are disordered over two sites with equal occupancies.

| S-EPMC2983579 | biostudies-literature

N'-[(Biphenyl-4-yl)methyl-ene]-2-[(3,5-di-tert-butyl-4-hydroxy-benz-yl)sulfan-yl]acetohydrazide.

Project description:In the title compound, C(30)H(36)N(2)O(2)S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2?(1)°. The two methyl-ene C atoms subtend an angle of 99.9?(1)° at the S atom. In the crystal, mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.

| S-EPMC2983883 | biostudies-other

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