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Bis{(R)-N-[(R)-2-benz-yloxy-1-(4-tert-butyl-phen-yl)eth-yl]-2-methyl-propane-2-sulfinamide} monohydrate.

ABSTRACT: The asymmetric unit of the title compound, 2C23H33NO2S·H2O, contains one organic mol-ecule in a general position and one co-crystallized water mol-ecule on a crystallographic twofold axis. Each water mol-ecule serves as a hydrogen-bond donor to a pair of S=O acceptors on symmetry-related mol-ecules. Thus, each trio of mol-ecules forms one title formula unit. These groupings are further connected along [010] via weak non-classical C-H?O hydrogen bonds.

SUBMITTER: Humes CL

PROVIDER: S-EPMC3998603 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Bis{(R)-N-[(R)-2-benz-yloxy-1-(4-tert-butyl-phen-yl)eth-yl]-2-methyl-propane-2-sulfinamide} monohydrate.

Humes Charlotte L CL Banker Tyler J TJ Dorn Stephanie C M SC Shanahan James P JP Brennessel William W WW Weix Daniel J DJ

Acta crystallographica. Section E, Structure reports online 20140308 Pt 4

The asymmetric unit of the title compound, 2C23H33NO2S·H2O, contains one organic mol-ecule in a general position and one co-crystallized water mol-ecule on a crystallographic twofold axis. Each water mol-ecule serves as a hydrogen-bond donor to a pair of S=O acceptors on symmetry-related mol-ecules. Thus, each trio of mol-ecules forms one title formula unit. These groupings are further connected along [010] via weak non-classical C-H⋯O hydrogen bonds. ...[more]

PMID: 24826122

Similar Datasets

1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

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1-{2-Benz-yloxy-2-[4-(morpholin-4-yl)phen-yl]eth-yl}-1H-benzimidazole.

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tert-Butyl N-{4-[N-(4-hy-droxy-phen-yl)carbamo-yl]benz-yl}carbamate.

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 ?-? inter-actions exist between the aromatic rings.

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Project description:In the title compound, C(11)H(17)NO(2)S, the mol-ecules inter-act head-to-tail through N-H?OS hydrogen bonds, giving discrete centrosymmetric cyclic dimers. The N-C(ar-yl) bond length [1.4225?(14)?Å] is inter-mediate between that in N-phenyl-tert-butane-sulfinamide [1.4083?(12)?Å] and the N-C(alk-yl) bond lengths in N-alkyl-alkanesulfinamides (1.470-1.530?Å), suggesting weaker delocalization of electrons over the N atom and the aromatic ring due to the presence of the 4-meth-oxy group.

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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.

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