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Crystal structure of 2,3-dimeth-oxy-5,6,7,8,13,13a-hexa-hydro-6a,8-di-aza-indeno-[2,1-b]phenanthrene methanol monosolvate.

ABSTRACT: The asymmetric unit of the title solvate, C21H22N2O2·CH3OH, contains one methanol solvent mol-ecule and one mol-ecule of the heterocycle that is built up by the fusion of four six-membered rings A, C, D, E and one five-membered ring B. The indole moiety (rings A and B) is essentially planar, with an r.m.s. deviation of 0.013?Å, whereas rings C and D adopt a twisted conformation with a trans-ring junction. In the crystal, two heterocyclic mol-ecules are associated with two methanol mol-ecules through mutual N-H?O and O-H?N hydrogen bonds, forming a centrosymmetric dimer.

SUBMITTER: Adizov SM

PROVIDER: S-EPMC4571404 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 2,3-dimeth-oxy-5,6,7,8,13,13a-hexa-hydro-6a,8-di-aza-indeno-[2,1-b]phenanthrene methanol monosolvate.

Adizov Shahobiddin M SM Saidov Abdusalom Sh ASh Turgunov Kambarali K KK Okmanov Rasul Ya RY Tashkhodjaev Bakhodir B

Acta crystallographica. Section E, Crystallographic communications 20150715 Pt 8

The asymmetric unit of the title solvate, C21H22N2O2·CH3OH, contains one methanol solvent mol-ecule and one mol-ecule of the heterocycle that is built up by the fusion of four six-membered rings A, C, D, E and one five-membered ring B. The indole moiety (rings A and B) is essentially planar, with an r.m.s. deviation of 0.013 Å, whereas rings C and D adopt a twisted conformation with a trans-ring junction. In the crystal, two heterocyclic mol-ecules are associated with two methanol mol-ecules thr ...[more]

PMID: 26396804

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