{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 4)"],"submitter":["Moreth M"],"pubmed_abstract":["In the title mol-ecule, C(28)H(33)FN(2)O(5)S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp(2)-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hy-droxy group lie to either side of the C(2)NS plane, whereas the benzyl-phenyl (connected to the N atom) and carbamate substituents lie to the other side. Supra-molecular layers propagating in the ac plane are found in the crystal, linked by hy-droxy-sulfonamide O-H⋯O and carbamate-carbamate N-H⋯O hydrogen bonds along with C-H⋯O and C-H⋯π inter-actions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1138-9"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3344084"],"repository":["biostudies-literature"],"pubmed_title":["(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluoro-benzene-sulfonamido)-3-hy-droxy-1-phenyl-butan-2-yl]carbamate."],"pmcid":["PMC3344084"],"pubmed_authors":["Wardell SM","de Souza MV","Moreth M","Tiekink ER","Wardell JL"],"additional_accession":[]},"is_claimable":false,"name":"(2S,3R)-tert-Butyl N-[4-(N-benzyl-4-fluoro-benzene-sulfonamido)-3-hy-droxy-1-phenyl-butan-2-yl]carbamate.","description":"In the title mol-ecule, C(28)H(33)FN(2)O(5)S, the mean plane about the tertiary amine group (sum of the angles subtended at the sp(2)-hybridized N atom = 359.7°) forms a dihedral angle of 16.66 (6)° with the phenyl ring adjacent to the carbamate group. The sulfonamide benzene ring and the hy-droxy group lie to either side of the C(2)NS plane, whereas the benzyl-phenyl (connected to the N atom) and carbamate substituents lie to the other side. Supra-molecular layers propagating in the ac plane are found in the crystal, linked by hy-droxy-sulfonamide O-H⋯O and carbamate-carbamate N-H⋯O hydrogen bonds along with C-H⋯O and C-H⋯π inter-actions.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Apr","modification":"2025-04-04T09:12:28.448Z","creation":"2019-03-27T00:53:04Z"},"accession":"S-EPMC3344084","cross_references":{"pubmed":["22606087"],"doi":["10.1107/S1600536812011440"]}}