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5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.

ABSTRACT: In the title ortho-rhom-bic 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, mol-ecules are linked by C-H?? contacts. The previously-reported polymorph [Yousuf et al. (2012 ?). Acta Cryst. E68, o1101] crystallizes in the monoclinic system (space group P21/c) with two mol-ecules in the asymmetric unit.

SUBMITTER: Abdoh MM

PROVIDER: S-EPMC3588308 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.

Abdoh M M M MM Madan Kumar S S Vinay Kumar K S KS Manjunath B C BC Sadashiva M P MP Lokanath N K NK

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

In the title ortho-rhom-bic 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, mol-ecules 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 mol-ecules in the asymmetric unit. ...[more]

PMID: 23476404

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5-(Prop-2-yn-yl)-5H-dibenzo[b,f]azepine.

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