| Literature DB >> 24427023 |
P Narayanan1, Jayabal Kamalraja2, Paramasivam T Perumal2, K Sethusankar1.
Abstract
The title compound, C16H15N3O6, is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The six-membered carbocyclic ring adopts an envelope conformation with the central CH2 C atom as the flap. The amine N atom deviates from the mean plane of the pyran ring by 0.1365 (15) Å. The nitro-phenyl ring is almost orthogonal to the pyran ring and the mean plane of the six-membered carbocyclic ring, the dihedral angle between their mean planes being 88.30 (7) and 87.61 (8)°, respectively. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming infinite bands lying parallel to (-110) and composed of alternate R 2 (2)(24) and R 2 (4)(12) graph-set ring motifs. The crystal structure is further stabilized by C-H⋯π inter-actions, forming a three-dimensional structure.Entities:
Year: 2013 PMID: 24427023 PMCID: PMC3884480 DOI: 10.1107/S1600536813021181
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368