Article
X-Ray Structure and Molecular-Packing Analysis of Artemetin
Author/s | Estrada de Oya, María Dolores
Conde Amiano, Alejandro Márquez Delgado, Rafael Jiménez Garay, Rafael |
Department | Universidad de Sevilla. Departamento de Física de la Materia Condensada |
Publication Date | 1987 |
Deposit Date | 2017-12-11 |
Published in |
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Abstract | 5-Hydroxy-3,3' ,4',6,7-pentamethoxyflavone (flavone is 2-phenyl-4H-1-benzopyran-4-one ), C20H20- 08, M,= 388·4, monoclinic, P2/n, a= 7·518 (4), b=13·625(3), C=17·766(5)Á, P=98·52(3) 0 , V
= 1803 (l)Á\ Z=4, Dx= ... 5-Hydroxy-3,3' ,4',6,7-pentamethoxyflavone (flavone is 2-phenyl-4H-1-benzopyran-4-one ), C20H20- 08, M,= 388·4, monoclinic, P2/n, a= 7·518 (4), b=13·625(3), C=17·766(5)Á, P=98·52(3) 0 , V = 1803 (l)Á\ Z=4, Dx= 1·430Mgm-J, A.(MoKa) = 0·7107 A, !J = 0·104 mm-I, F(OOO) = 816, room temperature, final wR = 0·063 for 1480 observed reflexions. The benzopyran ring and the attached phenyl ring are quasi-planar. Dihedral angles between least-squares planes through each of the two rings are lower than 2°. An intramolecular 0-H ···O hydrogen bond exists involving hydroxyl and carbonyl groups of the phenyl and pyrone rings. Molecular-packing analysis in the atom-atom approach yields an equilib rium configuration in very good agreement with the experimental one. |
Citation | Estrada de Oya, M.D., Conde Amiano, A., Márquez, R. y Jiménez Garay, R. (1987). X-Ray Structure and Molecular-Packing Analysis of Artemetin. Acta crystallographica. Section C, Crystal structure communications, 43, 1826-1829. |
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