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N-(2,5-Dimeth-oxy-phen-yl)-6-nitro-quinazolin-4-amine.

ABSTRACT: In the title mol-ecule, C16H14N4O4, the quinazoline ring is substanti-ally planar (r.m.s. deviation = 0.0129?Å) and forms a dihedral angle of 2.73?(8)° with the benzene ring. The conformation of the mol-ecule is stabilized by an intra-molecular C-H?N hydrogen bond. In the crystal, mol-ecules are linked into chains running parallel to the b axis by C-H?O hydrogen bonds. In addition, ?-? stacking is observed between dimethoxy-substituted and nitro-substituted benzene rings, with centroid-centroid distances in the range 3.6438?(10)-3.7148?(10)?Å.

SUBMITTER: Saad SM

PROVIDER: S-EPMC3588306 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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N-(2,5-Dimeth-oxy-phen-yl)-6-nitro-quinazolin-4-amine.

Saad Syed Muhammad SM Khan Imran I Perveen Shahnaz S Khan Khalid M KM Yousuf Sammer S

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

In the title mol-ecule, C16H14N4O4, the quinazoline ring is substanti-ally planar (r.m.s. deviation = 0.0129 Å) and forms a dihedral angle of 2.73 (8)° with the benzene ring. The conformation of the mol-ecule is stabilized by an intra-molecular C-H⋯N hydrogen bond. In the crystal, mol-ecules are linked into chains running parallel to the b axis by C-H⋯O hydrogen bonds. In addition, π-π stacking is observed between dimethoxy-substituted and nitro-substituted benzene rings, with centroid-centroid ...[more]

PMID: 23476461

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