Cargando…

Methyl 5′-(2-hy­droxy­phen­yl)-4′,5′,6′,7′-tetra­hydro­spiro­[2H-1-benzopyran-2,7′-1,2,4-triazolo[1,5-a]pyrimidine]-3-carboxyl­ate

There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C(21)H(18)N(4)O(4). The substituted benzopyran portion of one of the independent mol­ecules exhibits disorder [occupancy 0.5248 (18):0.4752 (18)], which was modelled by using two sets of atomic po...

Descripción completa

Detalles Bibliográficos
Autores principales: Kettmann, Viktor, Světlík, Jan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050238/
https://www.ncbi.nlm.nih.gov/pubmed/21522801
http://dx.doi.org/10.1107/S160053681005052X
Descripción
Sumario:There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C(21)H(18)N(4)O(4). The substituted benzopyran portion of one of the independent mol­ecules exhibits disorder [occupancy 0.5248 (18):0.4752 (18)], which was modelled by using two sets of atomic positions and restraints on the chemically equivalent bond lengths and angles. The central, partially saturated pyrimidine rings of both independent mol­ecules were found to assume unsymmetrical half-chair conformations. The hy­droxy­phenyl substituent occupies an equatorial position in both mol­ecules, and is rotated by 55.6 (1)° from the mean plane of the pyrimidine ring in one independent mol­ecule, and by 53.4 (1)° in the other. In the crystal, there are two types of inter­molecular hydrogen bond present: reciprocal N—H⋯N inter­actions join the two crystallographically independent mol­ecules into a dimer and O—H⋯N inter­actions link the dimers into sheets in the ab plane.