Crystal Structure and Molecular Conformational Studies of Allyl 6-Amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate

The allyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate, C 17 H 15 FN 2 O 3 , compound adopts a triclinic crystal system with the sp. gr. , Z = 2. The 4H-pyran ring adopts a boat conformation with their respective parameters ( Q = 0.2384(26) Å, θ = 99.46(65)°, Φ = 10.3(7)°). The...

Full description

Saved in:
Bibliographic Details
Published in:Crystallography reports 2019-12, Vol.64 (7), p.1103-1107
Main Authors: Mohandas, T., Kumar, C. Udhaya, Krishnan, G. Anantha, Pillai, M. Velayutham, Sakthivel, P.
Format: Article
Language:English
Subjects:
Crystal structure
Crystallography and Scattering Methods
Dihedral angle
Molecular structure
Physics
Physics and Astronomy
Structure of Organic Compounds
Triclinic crystals
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The allyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate, C 17 H 15 FN 2 O 3 , compound adopts a triclinic crystal system with the sp. gr. , Z = 2. The 4H-pyran ring adopts a boat conformation with their respective parameters ( Q = 0.2384(26) Å, θ = 99.46(65)°, Φ = 10.3(7)°). The fluorophenyl ring is essentially planar. The dihedral angle between fluorophenyl and pyran rings is found to be 85.81(15)°. The structure is stabilized by intermolecular interaction. The N–H···N and N–H···O interactions form a graph set motifs of R (12) and R (20), respectively.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774519070101