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Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetra-hydro-9H,15bH-13,15a-ep-oxy-isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxyl-ate.

Zaytsev VP, Orlova DN, Gurbanov AV, Zubkov FI, Khrustalev VN - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring.The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane.In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

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Affiliation: Organic Chemistry Department, Peoples' Friendship University of Russia, Miklukho-Maklaya St 6, Moscow 117198, Russia.

ABSTRACT
The title compound, C21H18N2O4, obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo-[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

No MeSH data available.


Synthesis of methyl 11-oxo-11,11a,12,13-tetrahydro-9H,15b-H-13,15a-epoxyisoindolo[1,2c]pyrrolo[1,2a][1,4]benzodiazepine-12-carboxylate.
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Fap1: Synthesis of methyl 11-oxo-11,11a,12,13-tetrahydro-9H,15b-H-13,15a-epoxyisoindolo[1,2c]pyrrolo[1,2a][1,4]benzodiazepine-12-carboxylate.


Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetra-hydro-9H,15bH-13,15a-ep-oxy-isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxyl-ate.

Zaytsev VP, Orlova DN, Gurbanov AV, Zubkov FI, Khrustalev VN - Acta Crystallogr Sect E Struct Rep Online (2014)

Synthesis of methyl 11-oxo-11,11a,12,13-tetrahydro-9H,15b-H-13,15a-epoxyisoindolo[1,2c]pyrrolo[1,2a][1,4]benzodiazepine-12-carboxylate.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257400&req=5

Fap1: Synthesis of methyl 11-oxo-11,11a,12,13-tetrahydro-9H,15b-H-13,15a-epoxyisoindolo[1,2c]pyrrolo[1,2a][1,4]benzodiazepine-12-carboxylate.
Bottom Line: The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring.The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane.In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: Organic Chemistry Department, Peoples' Friendship University of Russia, Miklukho-Maklaya St 6, Moscow 117198, Russia.

ABSTRACT
The title compound, C21H18N2O4, obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo-[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

No MeSH data available.