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

ABSTRACT: 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.

SUBMITTER: Mansor S

PROVIDER: S-EPMC2960651 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20080820 Pt 9

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. ...[more]

PMID: 21201778

Similar Datasets

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)°.

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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.

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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.

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(3,5-Di-tert-butyl-2-eth-oxy-benzyl-idene)[2-(3,5-di-tert-butyl-1H-pyrazol-1-yl)eth-yl]amine.

Project description:The angles within the benzene ring in the title compound, C(30)H(49)N(3)O, ranging from 116.34 (16) to 124.18 (16)°, reflect the presence of electron-donating and electron-withdrawing substituents. The angles at the two electron-donating tert-butyl substituents are smaller than 120°, at the electron-withdrawing eth-oxy substituent larger than 120°, and at the imine substituent equal to 119.59 (16)°. The latter does not reflect the electron-donating nature of the imine group due to the presence of other substituents.

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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

N'-(3,5-Di-tert-butyl-4-hydroxy-benzyl-idene)-2-hydroxy-benzohydrazide methanol solvate.

Project description:The asymmetric unit of the title compound, C(22)H(28)N(2)O(3)·CH(4)O, consists of two independent Schiff base mol-ecules and two independent methanol solvent mol-ecules. In one Schiff base mol-ecule, the 2-hydr-oxy group forms an intra-molecular hydrogen bond with the amide O atom, whereas in the other Schiff base mol-ecule, the 2-hydr-oxy-substituted benzene ring is oriented so that the 2-hydr-oxy group serves as hydrogen-bond acceptor for the amide NH group. In the crystal structure, Schiff base mol-ecules inter-act with methanol solvent to furnish a hydrogen-bonded chain.

| S-EPMC2962083 | biostudies-literature

(E)-2-[(3,5-Di-tert-butyl-2-hydroxy-benzyl-idene)amino]benzonitrile.

Project description:The asymmetric unit of the title compound, C(22)H(26)N(2)O, contains three crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 21.74?(5), 27.59?(5) and 27.87?(5)°. Intra-molecular O-H?N hydrogen bonds result in the formation of planar six-membered rings, and these are nearly coplanar with the adjacent rings. In the crystal structure, ?-? contacts between the benzene rings [centroid-centroid distances = 3.989?(2), 3.802?(1) and 3.882?(1)?Å] may stabilize the structure.

| S-EPMC2969623 | biostudies-literature

3-[(3,5-Di-tert-butyl-2-hydroxy-benzyl-idene)methyl-eneamino]benzonitrile.

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two aromatic rings is 26.30 (15)°. There is a strong intra-molecular O-H⋯N hydrogen bond between the imine and hydroxyl groups.

| S-EPMC2977811 | biostudies-literature

2,4-Di-tert-butyl-6-[1-(3,5-di-tert-butyl-2-hydroxy-phen-yl)eth-yl]phenyl 4-methyl-benzene-sulfonate.

Project description:The title compound, C(37)H(52)O(4)S, was obtained by the reaction of 6,6'-(ethane-1,1-di-yl)bis-(2,4-di-tert-butyl-phenol) and 4-methyl-benzene-1-sulfonyl chloride. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. Two of the tert-butyl groups are disordered over two sets of sites with occupancies 0.530?(15)/0.470?(15) and 0.615?(11)/0.385?(11).

| S-EPMC2968069 | biostudies-literature

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