TY - JOUR
T1 - Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one
AU - Gonzalez-Carrillo, Gabino
AU - Muñiz-Valencia, Roberto
AU - García-Báez, Efren V.
AU - Martínez-Martínez, Francisco J.
N1 - Publisher Copyright:
© Acta Cryst. 2019.
PY - 2019/12/1
Y1 - 2019/12/1
N2 - A new polymorphic form of the title compound, C12H10O4, is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003-1007.]. In polymorph II, the coumarin ring system is almost planar (r.m.s. deviation = 0.00129Å). In the crystal, molecules are connected by Csp 3 - H⋯O and Car - H⋯O hydrogen bonds, forming molecular sheets linked into zigzag shaped layers along the b-axis direction. The three-dimensional lattice is assembled through stacking of the zigzag layers by π-π interactions with a centroid-to-centroid distance of 3.600(9)Å and antiparallel C=O⋯C=O interactions with a distance of 3.1986(17)Å, which give rise to a helical supramolecular architecture.
AB - A new polymorphic form of the title compound, C12H10O4, is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003-1007.]. In polymorph II, the coumarin ring system is almost planar (r.m.s. deviation = 0.00129Å). In the crystal, molecules are connected by Csp 3 - H⋯O and Car - H⋯O hydrogen bonds, forming molecular sheets linked into zigzag shaped layers along the b-axis direction. The three-dimensional lattice is assembled through stacking of the zigzag layers by π-π interactions with a centroid-to-centroid distance of 3.600(9)Å and antiparallel C=O⋯C=O interactions with a distance of 3.1986(17)Å, which give rise to a helical supramolecular architecture.
KW - 3-acetyl-8-methoxy-coumarin
KW - coumarin
KW - crystal structure
KW - hydrogen bond
KW - polymorph
UR - http://www.scopus.com/inward/record.url?scp=85076341936&partnerID=8YFLogxK
U2 - 10.1107/S2056989019015159
DO - 10.1107/S2056989019015159
M3 - Artículo
C2 - 31871747
AN - SCOPUS:85076341936
SN - 2056-9890
VL - 75
SP - 1866
EP - 1870
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
ER -