Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate

G Anantha Krishnan,M Velayutham Pillai,T Mohandas,C Udhaya Kumar,P Sakthivel

doi:10.1107/s2414314619000543

G Anantha Krishnan, M Velayutham Pillai + Show 3 more

Open Access

https://doi.org/10.1107/s2414314619000543

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Abstract

In the title compound, C17H16N2O3, the 4H-pyran ring adopts a boat conformation. In the crystal, N—H...N and N—H...O interactions link the molecules, forming an infinite ribbon running along the a-axis direction with N—H...N interactions forming centrosymmetric R 2 2(12) graph-set motifs. The allyl side chain is disordered over two sets of sites with occupancies of 0.720 (7) and 0.280 (7).

Highlights

In the title compound, C17H16N2O3, the 4H-pyran ring adopts a boat conformation
N—HÁ Á ÁN and N—HÁ Á ÁO interactions link the molecules, forming an infinite ribbon running along the a-axis direction with N— HÁ Á ÁN interactions forming centrosymmetric R22(12) graph-set motifs
The allyl side chain is disordered over two sets of sites with occupancies of 0.720 (7) and 0.280 (7)

Summary

Structure description

Pyran derivatives constitute a useful class of heterocyclic compounds, which are widely distributed in nature (Moriguchi et al, 1997). The 4H-pyran ring in the title compound (Fig. 1) exhibits a boat conformation with puckering parameters Q = 0.230 (3) A , = 79.8 (7) and ’ = 191.1 (7). In this ring, the atoms O1 and C7 make the largest deviations of 0.118 (2) and 0.139 (2) A , respectively, from the mean plane. The dihedral angle between 4H-pyran ring and the phenyl ring is 85.51 (15).

DÁ Á ÁA

Synthesis and crystallization

Data collection Diffractometer Absorption correction

Crystal data

Data collection

Special details