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2-(4-Methyl-phen-yl)-6-nitro-1,3-benzoxazole.

ABSTRACT: The title compound, C14H10N2O3, is a ?-conjugated mol-ecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01?Å. The mol-ecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52?(12) and 7.4?(3)° with the benzene ring and the nitro group, respectively. In the crystal, mol-ecules are connected by very weak C-H?O hydrogen inter-actions, forming chains running parallel to the a or c axes. The methyl H atoms are disordered over two sets of sites of equal occupancy rotated by 60°.

SUBMITTER: Centore R

PROVIDER: S-EPMC3647863 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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2-(4-Methyl-phen-yl)-6-nitro-1,3-benzoxazole.

Centore Roberto R Piccialli Vincenzo V Tuzi Angela A

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

The title compound, C14H10N2O3, is a π-conjugated mol-ecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Å. The mol-ecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52 (12) and 7.4 (3)° with the benzene ring and the nitro group, respectively. In the crystal, mol-ecules are connected by very weak C-H⋯O hydrogen inter-actions, forming chains running parallel to the a or c axes. The ...[more]

PMID: 23723829

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