The title compound is a conjugated molecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Angstrom. The molecule 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, molecules are connected by very weak C—H...O hydrogen interactions, 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° .

2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole / Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - 69:(2013), pp. o667-o668. [10.1107/S1600536813008970]

2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole

CENTORE, ROBERTO;PICCIALLI, VINCENZO;TUZI, ANGELA
2013

Abstract

The title compound is a conjugated molecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Angstrom. The molecule 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, molecules are connected by very weak C—H...O hydrogen interactions, 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° .
2013
2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole / Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - 69:(2013), pp. o667-o668. [10.1107/S1600536813008970]
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11588/548113
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 7
  • ???jsp.display-item.citation.isi??? ND
social impact