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Rac-(3S,4S)-3-Hy-droxy-4-phenyl-1-[(S)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-4,5-dihydro-1H-1,5-benzo-diazepin-2(3H)-one.

ABSTRACT: In the title compound, C(25)H(23)N(3)O(3), the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. The crystal packing features C-H?O, C-H?? and N-H ?? inter-actions.

SUBMITTER: Rida M

PROVIDER: S-EPMC3100042 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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rac-(3S,4S)-3-Hy-droxy-4-phenyl-1-[(S)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-4,5-dihydro-1H-1,5-benzo-diazepin-2(3H)-one.

Rida Mohamed M Essassi El Mokhtar el M Massip Stéphane S Lazar Saïd S Zouihri Hafid H

Acta crystallographica. Section E, Structure reports online 20110323 Pt 4

In the title compound, C(25)H(23)N(3)O(3), the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. The crystal packing features C-H⋯O, C-H⋯π and N-H ⋯π inter-actions. ...[more]

PMID: 21754212

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4-{[(4Z)-5-Oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl-idene]meth-yl}phenyl acetate.

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Project description:The seven-membered ring of the title mol-ecule, C(21)H(20)ClN(3)O(3), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The substituent at the 3-position occupies an equatorial position; its five-membered ring is approximately planar (r.m.s. deviation = 0.081?Å), and is aligned at 14.5?(1)° with respect to the chloro-phenyl ring to which it is connected.

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