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ABSTRACT:
SUBMITTER: Ziki E
PROVIDER: S-EPMC5209769 | biostudies-literature | 2017 Jan
REPOSITORIES: biostudies-literature
Ziki Eric E Sosso Siaka S Mansilla-Koblavi Frédérica F Djandé Abdoulaye A Kakou-Yao Rita R
Acta crystallographica. Section E, Crystallographic communications 20170101 Pt 1
In the title compound, C<sub>16</sub>H<sub>9</sub>ClO<sub>4</sub> the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°. In the crystal, π-π inter-actions link the dimers into a three-dimensional framework. A quantum chemical calculation is in generally good agreement with the observed structure, although the calculated dihedral angle between the ring systems (85.7%) is somewhat larger than the observed value [73.95 (8)°]. Hirshf ...[more]