Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Yehye WA

PROVIDER: S-EPMC2983883 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Yehye Wagee A WA Ariffin Azhar A Rahman Noorsaadah Abdul NA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100303 Pt 4

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. ...[more]

PMID: 21580580

Similar Datasets

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-literature

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

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-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

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

2-(3,5-Di-tert-butyl-4-hydroxy-benzyl-sulfan-yl)-N'-(3-methoxy-benzyl-idene)acetohydrazide.

Project description:The title compound, C(25)H(34)N(2)O(3)S, is a derivative of N'-benzyl-ideneacetohydrazide having substituents on the acetyl and benzylidenyl parts, and displays a planar C(carbon-yl)-NH-NC(anis-yl) fragment [torsion angle = 174.9?(3)°]. The -NH- unit forms an N-H?O hydrogen bond with the carbonyl O atom of an inversion-related mol-ecule.

| S-EPMC2970103 | biostudies-other

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

Project description: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.

| S-EPMC3007050 | biostudies-literature

Dimethyl 2-butyl-2-(3,5-di-tert-butyl-4-hydroxy-benz-yl)malonate.

Project description:The title compound, C(25)H(38)O(5), was formed by the reaction of dimethyl 2-butyl-malonate and 2,6-di-tert-butyl-4-[(dimethyl-amino)meth-yl]phenol. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds into chains along [010].

| S-EPMC2970493 | biostudies-other

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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data