Low Temperature Crystal Structure of 5-Hydroxy-1,7-Bis-(4-Hydroxy-3-Methoxy-Phenyl)-Hepta-1,6-Dien-3-one |
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Authors: | Azhagesan Renuga Parameswari Balu Devipriya Samson Jegan Jenniefer Packianathan Thomas Muthiah Poomani Kumaradhas |
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Institution: | (1) Department of Physics, Periyar University, Salem, 636 011, India;(2) Department of Chemistry, Bharathidasan University, Tiruchirappalli, 620 024, India; |
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Abstract: | Abstract The title compound 5-Hydroxy-1,7-bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-dien-3-one crystallizes in orthorhombic space
group Pca21 with two molecules in the asymmetric unit. The unit cell parameters are: a = 35.5368(8), b = 7.7799(2), c = 12.6796(3) ?, D
calc = 1.396 Mgm−3, V = 3505.6(2) ?3 and Z = 8. The two aromatic rings in both the molecules are found almost coplanar, their dihedral angles are 18.8° and 13.8°, respectively.
The molecular packing is stabilized by strong O–H···O and C–H···O types of hydrogen bonding interactions. The keto and enol
groups form an strong O–H···O intra-molecular interaction in both molecules of asymmetric unit. The molecular alignment in
the crystal forming a staircase type of stacking through cross link intermolecular interactions. |
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