Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid

Crystals of Sodium Laurate, Lauric Acid (NaLLA) were obtained and the structure was determined by single-crystal X-ray diffraction. The new crystal form is monoclinic space group P21/c. asymmetric unit contains two independent laurate molecules whose carboxylic/carboxylate groups are linked a low barrier O-H…O hydrogen bond. Two lauric/laurate in head-to-head configuration elongated hydrophobic chains parallel to long b axis. carboxylic atom found be disordered, bound on each carboxylate an unsymmetrical way. non-symmetrical character bond related presence fatty acid accordance with different lengths four C-O bonds present molecular structure. analyzed terms interactions Hirshfeld surface. packing stabilized O…Na ionic hydrophilic layer C-H…H-C contacts layers which most enriched major contacts.