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[4-(Di-tert-butyl-fluoro-silan-yl)phenyl]methanol.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(25)FOSi, contains two independent mol-ecules. Each of the Si atoms approximates the expected tetra-hedral geometry with Si-F bond lengths of 1.6128 (11) and 1.6068 (11) Å in the two independent mol-ecules. In the crystal, supra-molecular chains along a are found mediated by O-H⋯O hydrogen bonds.

SUBMITTER: Iovkova-Berends L

PROVIDER: S-EPMC3007959 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

(2-tert-Butyl-3-phenyl-2,3-di-hydro-isoxazole-4,5-di-yl)bis-(phenyl-methanone).

Project description:The phenyl and tert-butyl groups of the title compound, C27H25NO3, exhibit a trans configuration in agreement with the stereochemistry of the Z phenyl-N-tert-butyl-nitrone starting material. The attached carbonyl groups are not coplanar with the neighboring di-hydro-isoxazole ring and the phenyl rings they are bonded to, with torsion angles of 59.26 (8), 17.53 (11), 16.52 (12) and 52.86 (7)°. The dihedral angle between the di-hydro-isoxazole ring and the directly attached phenyl group is 86.86 (8)°. There are two nonclassical inter-molecular C-H⋯O hydrogen-bonding inter-actions that operate together with an inter-molecular C-H⋯π inter-action to form a supramolecular architecture in the crystal system.

| S-EPMC3793779 | biostudies-literature

5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin.

Project description:In the centrosymmetric title compound, C(64)H(62)N(4), the two phenyl-ethynyl groups lie at diagonal meso positions. The 24-membered porphyrin has in-plane distortion with respect to the mean plane of the macrocycle and two intra-ring bifurcated N-H?(N,N) hydrogen bonds occur. The dihedral angles between the phenyl rings in the phenyl-ethynyl group and the 3,5-bis-(tert-but-yl)phenyl group with respect to the mean plane of the porphyrin are 17.2?(2) and 59.2?(3)°. The tert-butyl groups are disordered over two sets of sites in a 0.661?(13):0.339?(13) ratio.

| S-EPMC2972159 | biostudies-literature

2,4-Di-tert-butyl-6-[(R/S)-1-(3,5-di-tert-butyl-2-hy-droxy-phen-yl)eth-yl]phenyl [(1R,4S)-7,7-dimethyl-2-oxobicyclo-[2.2.1]heptan-1-yl]methane-sulfonate.

Project description:The asymmetric unit of the title compound, C(40)H(60)O(5)S, comprises two diastereomers related, except for the chiral camphor groups, by a pseudo-inversion centre. In both diasteromers, the camphor sulfate moiety maintained the absolute configuartion (R,S) of the precursor. However, the absolute configurations at the methine C atoms are of opposite chirality. Both mol-ecules reveal intra-molecular O-H?O hydrogen bonds, whereas van der Waals inter-actions define the crystal packing.

| S-EPMC3254444 | 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

(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.

| S-EPMC3414966 | biostudies-literature

Tris(2,4-di-tert-butyl-phen-yl) phosphate.

Project description:The title compound, C(42)H(63)O(4)P, was isolated from the leaves of Vitex negundo. Two of the tert-butyl groups are disordered over two orientations with occupancy ratios of 0.57 (1):0.43 (1) and 0.67 (1):0.33 (1). Several intra-molecular C-H⋯O inter-actions are observed in the mol-ecular structure.

| S-EPMC3008051 | biostudies-literature

(Di-tert-butyl-phosphan-yl)bis-(diphenyl-phosphan-yl)phosphane.

Project description:The title phosphane, C(32)H(38)P(4) or (Ph(2)P)(2)P(P(t)Bu(2)), has a P atom that is linked to another three P atoms in a pyramidal configuration; the P-P distances in the range 2.2231 (7)-2.2446 (7) Å indicate that the P-P bonds are single bonds.

| S-EPMC2961699 | biostudies-literature

[4-tert-Butyl-2,6-bis-(di-phenyl-meth-yl)phenolato-κO]dieth-yl(tetra-hydro-furan-κO)aluminium.

Project description:The title compound, {Al[O-2,6-(Ph2CH)2-4- t BuC6H2]Et2(THF)} or [Al(C2H5)2(C36H33O)(C4H8O)], was formed in the reaction between 4-tert-butyl-2,6-bis-(di-phenyl-meth-yl)phenol and tri-ethyl-aluminum in the presence of THF (THF is tetra-hydro-furan) and recrystallized from hexane. The structure has monoclinic (P21/n) symmetry with a single Al atom in the asymmetric unit. The terminal C atom of one ethyl substituent is nearly equally disordered over two positions. The complex possesses catalytic activity in the ring-opening polymerization of ∊-caprolactone.

| S-EPMC5956341 | 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

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