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

ABSTRACT: The title amine, C(24)H(33)NO(3), has two substituted aromatic rings at either end of the -CH(2)NH- linkage [C(ar-yl)-CH(2)-NH-C(ar-yl) torsion angle = 77.4 (3)°]. The amino and hy-droxy groups are hydrogen-bond donors to the carbonyl O atom of an adjacent mol-ecule. These hydrogen bonds give rise to a chain that runs along the b axis. One of the tert-butyl groups is disordered over two positions with a site-occupation factor of 0.834 (6) for the major occupied site.

SUBMITTER: Shakir RM

PROVIDER: S-EPMC3009098 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

Phenyl 3,5-di-tert-butyl-2-hy-droxy-benzoate.

Project description:The title mol-ecule, C(21)H(26)O(3), has a six-membered planar carbon ring as the central core, substituted at position 1 with phen-oxy-carbonyl, at position 2 with hy-droxy and at positions 3 and 5 with tert-butyl groups. The structure shows two independent but very similar mol-ecules within the asymmetric unit. For both independent mol-ecules, the ester carboxyl-ate group is coplanar with the central core, as reflected by the small C-C-O-C torsion angles [179.95?(17) and 173.70?(17)°]. In contrast, the phenyl substituent is almost perpendicular to the carboxyl-ate -CO(2) fragment, as reflected by C-O-C-C torsion angles, ranging from 74 to 80°. The coplanarity between the central aromatic ring and the ester carboxyl-ate -CO(2)- group allows the formation of an intra-molecular hydrogen bond, with O?O distances of 2.563?(2) and 2.604?(2)?Å.

| S-EPMC3011503 | biostudies-literature

Diethyl 2,2-bis-(3,5-di-tert-butyl-4-hy-droxy-benz-yl)malonate.

Project description:The title mol-ecule, C(37)H(56)O(6), possesses twofold symmetry, with the twofold axis passing through the quaternary C atom. In the crystal, neighbouring mol-ecules are linked via O-H?O hydrogen bonds involving the phenol OH group and the carbonyl O atom, forming chains propagating in [101]. Within these chains, rings are formed with an R(2) (2)(20) motif. There are also C-H?O inter-actions present within the rings.

| S-EPMC3275203 | biostudies-literature

2,4-Di-tert-butyl-6-({[2-(di-methyl-amino)-eth-yl](2-hy-droxy-benz-yl)amino}-meth-yl)phenol.

Project description:The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The mol-ecular structure is stabilized by O-H?N and C-H?O hydrogen bonds. In the crystal, C-H?? inter-actions lead to the formation of a supramolecular helical chain along the b-axis direction.

| S-EPMC4051019 | biostudies-literature

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

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

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

A second monoclinic polymorph of 3,5-di-tert-butyl-2-hy-droxy-benzaldehyde.

Project description:In the title mol-ecule, C15H22O2, there is an intra-molecular hydrogen bond involving the hy-droxy and aldehyde groups and forming an S(6) ring. The mean plane of the non-H atoms of this ring [(H)O-C C-C=O, with a maximum deviation of 0.013?(1)?Å] are essentially coplanar with the benzene ring, forming a dihedral angle of 2.29?(8)°.

| S-EPMC3884484 | biostudies-literature

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

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