5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: orthorhombic polymorph

Abstract

In the title ortho­rhom­bic polymorph (space group Iba2), C17H13N, the dihedral angle between the benzene rings is 55.99 (10)° and the azepine ring adopts a boat conformation. In the crystal, mol­ecules are linked by C—H⋯π contacts. The previously-reported polymorph [Yousuf et al. (2012 ▶). Acta Cryst. E68, o1101] crystallizes in the monoclinic system (space group P21/c) with two mol­ecules in the asymmetric unit.

Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl)-5H-dibenzo[b,f]azepine

“…The compounds 1 and 2 crystallize in the centrosymmetric and noncentrosymmetric space groups Pbca and Pca2 1 , respectively. The structural analysis reveals that all geometric parameters agree well with the expected values reported in the literature, including the iminostilbene derivatives previously published by us [10,11]. Overall, both the molecules adopt butterfly shape and the percentage of intercontacts of 1 and 2 to the Hirshfeld surface is compared (Figure 9).…”

“…Synthesis and crystal structures of other iminostilbene derivatives, 5-(prop-2-yn-1-yl)-5H-dibenzo[b,f ]-azepine, orthorhombic polymorph, and 5-[(4-Benzyl-1H-1,2,3-triazol-1yl)methyl]-5H-dibenzo [b,f]azepine have been reported [10,11]. As a part of our ongoing research on the synthesis and crystal structures and their importance of iminostilbene derivatives, we report here the synthesis and characterization by spectral studies and crystal structure using single crystal X-ray crystal diffraction of compounds 5methyl-5H-dibenzo[b,f ]azepine (1) and 5-(4-methylbenzyl)-5H-dibenzo[b,f]azepine (2).…”

5-[(4-Benzyl-1H-1,2,3-triazol-1-yl)methyl]-5H-dibenzo[b,f]azepine

“…The title compound was synthesized, crystallized and its crystal structure is presented as part of our investigations on isoxazole derivatives (Abdoh, et al,, 2013) In the title molecule ( Fig. 1.…”

5-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-5H-dibenzo[b,f]azepine

“…For their antitumor properties, see: Al-Qawasmeh et al (2009). For related structures, see: Abdoh et al (2013); Manjunath et al (2013). For ring-puckering analysis, see: Cremer & Pople (1975).…”

“…They are used in the prepration of carbamazepine, an anticonvulsant (Rockliff & Davis, 1966). As a part of our on-going research on the synthesis and crystal structural studies of dibenzo azepine derivatives (Abdoh et al, 2013;Manjunath et al, 2013), we present herein the crystal structure of the title compound.…”