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Solvatomorphism in 3-Fluorobenzoylaminophenyl 3-Fluorobenzoate: A Subtle Interplay of Strong Hydrogen Bonds and Weak Intermolecular Interactions Involving Disordered Fluorine

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https://figshare.com/articles/dataset/Solvatomorphism_in_3_Fluorobenzoylaminophenyl_3_Fluorobenzoate_A_Subtle_Interplay_of_Strong_Hydrogen_Bonds_and_Weak_Intermolecular_Interactions_Involving_Disordered_Fluorine/3077221
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3-Fluorobenzoylaminophenyl 3-fluorobenzoate crystallizes in dimorphic forms, generated by a delicate balance of strong and weak intermolecular forces, one form containing a trapped cyclohexane molecule in the crystalline lattice. Both forms crystallize as triclinic systems with centrosymmetric space group P1̄. The supramolecular features in both forms is guided by control of strong N−H···O hydrogen bonds, weak but directional C−H···O and C−H···F interactions involving disordered fluorine, and isotropic C−H···π and aromatic π···π stacking interactions that differentiate the packing in the two forms. The extent of disorder associated with organic fluorine is different in both forms.
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2016-03-01
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