Determination of electrostatic parameters of a coumarin derivative compound C17H13NO3 by x-ray and density functional theory |
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Megrouss Youcef, Benhalima Nadia, Bahoussi Rawia, Boukabcha Nouredine, Chouaih Abdelkader, Hamzaoui Fodil†
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| Deformation density maps with a contour interval of 0.05 eÅ−3, positive density in blue, and negative density in red: (a) plane of the 2phenol amino, (b) the coumarin plane, (c) in the plane of intramolecular hydrogen bond N1… H1… O1, and (d) in the plane of the intermolecular hydrogen bond C7… H7… O3. |
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