On the structure and conformational disorder of 1,2,3,4,7,8,9,10-octahydro-4-(4′-methoxybenzylidene)-11-(4′-methoxyphenyl)-11aH-dibenzo[c,f]-[1,2] diazepine

Research output: Contribution to journalArticle

Abstract

C28H30N2O2 (Mr = 426.56) crystallizes in the monoclinic system, space group P21/n with a = 18.236(1), b = 7.675(1), c = 16.455(1) Å; β = 100.37(1)°, V = 2265.4(6) Å3, Z = 4, Dc = 1.251 g cm-3 and μ(Cu Kα) = 6.3 cm-1. The structure has been solved by direct methods and after inclusion of a conformational disorder for the 4′-methoxybenzylidene moiety, refined to R = 0.062 for 2133 observed reflections. The tautomeric proton is bound to C11(A). The puckering of the fused ring system together with the established conformational disorder of the 4′-methoxybenzylidene group are discussed.

Original languageEnglish
Pages (from-to)333-340
Number of pages8
JournalJournal of Molecular Structure
Volume101
Issue number3-4
DOIs
Publication statusPublished - Sep 1983

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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