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Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetra-hydro-benzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine.

ABSTRACT: Mol-ecules of the title compound, C16H16N2O2, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the mol-ecule form a dihedral angle of 72.01?(2)°. In the crystal, mol-ecules are linked by pairs of C-H?O and N-H?C contacts into layers parallel to (100). H?H contacts make the largest contribution to the Hirshfeld surface (58.9%).

SUBMITTER: C?nar EB

PROVIDER: S-EPMC7472765 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetra-hydro-benzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine.

Çınar Emine Berrin EB Yeşilbağ Semanur S Doğan Onur Erman OE Ağar Erbil E Dege Necmi N Saif Eiad E

Acta crystallographica. Section E, Crystallographic communications 20200818 Pt 9

Mol-ecules of the title compound, C16H16N2O2, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the mol-ecule form a dihedral angle of 72.01 (2)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O and N-H⋯C contacts into layers parallel to (100). H⋯H contacts make the largest c ...[more]

PMID: 32939302

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