Bis(L-serinium) oxalate dihydrate: polymorph II

Abstract

0.032; wR factor = 0.065; data-to-parameter ratio = 13.3. A corrected and improved structure of the polymorph II of 2C3H8NO3 +C2O422H2O, based on single-crystal data, is presented. The structure is refined with anisotropic displace-ment parameters for all non-H atoms and all H atoms are located. Due to the charged moieties, the structure is classified as a molecular salt. Intermolecular O—H O, O—H O and N+—H Ohydrogen bonds link the components of the structure. The l-serinium cations and oxalate anions form a network of channels in [100] direction, filled with the water molecules of crystallization. The dihedral angle between the CO2 units of the oxalate dianion is 10.2 (3) Related literature Crystallization of serine with oxalic acid leads to diverse molecular salts, with some of them exhibiting polymorphism. The polymorphs I and II of 2C3H7NO3 +C2O422H2O have already been described, see: Braga et al. (2013). Form II was determined by powder X-ray diffraction methods and there-fore the crystal structure lacks properly located H atoms and anisotropic displacement parameters of all heavy atoms in the structure

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oai:CiteSeerX.psu:10.1.1.773.1308Last time updated on 10/30/2017

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