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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.

ABSTRACT: 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.

SUBMITTER: Spencer LC

PROVIDER: S-EPMC3414966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(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

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

2,4-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

Ethyl 4-[(3,5-di-tert-butyl-2-hy-droxy-benzyl-idene)-amino]-benzoate.

Project description:The title compound, a Schiff base, C(24)H(31)NO(3), has a substituted aromatic ring at both ends of the azomethine linkage and these make a dihedral angle of 24.9?(1)°. There is an intra-molecular hydrogen bond between the hy-droxy group (donor) and the N atom of themazomethine linkage.

| S-EPMC3009105 | 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

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

7-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-4-methyl-2H-chromen-2-one.

Project description:The title compound, C(25)H(29)NO(3), is a Schiff base derivative of coumarin 120. There are two structurally similar but crystallographically independent mol-ecules in the asymmetric unit. Both mol-ecules exist in E configurations with respect to the C=N double bonds. The dihedral angles between the coumarin and 3,5-di-tert-butyl-2-hy-droxy-benzyl-idene ring planes are 4.62?(7) and 14.62?(7)° for the two mol-ecules. Intra-molecular O-H?N hydrogen bonding involving the O-H groups and the azomethine N atoms generate S(6) rings. In the crystal structure, independent mol-ecules are linked by C-H?? inter-actions, with groups of four mol-ecules stacked along the c axis.

| S-EPMC2983148 | 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-other

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

(E)-2'-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate.

Project description:The title compound, C(35)H(35)NO(2)·CH(4)O, was obtained by the reaction of rac-2-amino-2-hy-droxy-1,1-binaphthyl and 3,5-di-tert-butyl-2-hy-droxy-benzaldehyde in absolute methanol. In the Schiff base mol-ecule, the two naphthyl bicycles are twisted by 71.15?(5)°. One hy-droxy group is involved in intra-molecular O-H?N hydrogen bond, while the methanol solvent mol-ecule is linked to another hy-droxy group via an inter-molecular O-H?O hydrogen bond.

| S-EPMC3247328 | biostudies-literature

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