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(2-tert-Butyl-5-hy-droxy-methyl-1,3-dioxan-5-yl)methanol.

ABSTRACT: In the title compound, C(10)H(20)O(4), the dioxane ring adopts a chair conformation. The tert-butyl group occupies an equatorial position, and is staggered with respect to the O atoms of the dioxane ring. In the crystal, mol-ecules are connected by O-H?O hydrogen-bonds into zigzag chains of R(4) (4)(8) and R(2) (2)(12) ring motifs that run parallel to the a axis.

SUBMITTER: Vargas B

PROVIDER: S-EPMC3393317 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(2-tert-Butyl-5-hy-droxy-methyl-1,3-dioxan-5-yl)methanol.

Vargas Berenice B Olivas Amelia A Aguirre Gerardo G Madrigal Domingo D

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, C(10)H(20)O(4), the dioxane ring adopts a chair conformation. The tert-butyl group occupies an equatorial position, and is staggered with respect to the O atoms of the dioxane ring. In the crystal, mol-ecules are connected by O-H⋯O hydrogen-bonds into zigzag chains of R(4) (4)(8) and R(2) (2)(12) ring motifs that run parallel to the a axis. ...[more]

PMID: 22807874

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Crystal structure of 1,3-bis-(3-<i>tert</i>-butyl-2-hy-droxy-5-methyl-benz-yl)-1,3-diazinan-5-ol monohydrate.

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1-(3-tert-Butyl-4-hy-droxy-phen-yl)ethanone.

Project description:The title compound, C(12)H(16)O(2), is approximately planar (r.m.s. deviation = 0.030?Å), apart from two methyl groups of the tert-butyl unit [deviations of the C atoms = 1.140?(2) and -1.367?(1)?Å]. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into hexa-meric rings with R(6) (6)(48) graph-set motifs.

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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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Project description:In the title compound, C(19)H(22)N(2)O(4), the dihedral angle between the aromatic rings is 67.33 (2)°. In the crystal, mol-ecules are linked through N-H⋯O and O-H⋯O hydrogen bonds, generating a two-dimensional network lying parallel to (100). As a result of the twist of the mol-ecular skeleton and the hindrance of the tert-butyl groups, no π-π inter-actions exist between the aromatic rings.

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