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Crystal Structure of an Adduct of Sarcosine with Sulfuric Acid (at 140 K)
Author(s) -
Mostad A.,
Natarajan S.
Publication year - 1996
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170310306
Subject(s) - sarcosine , triclinic crystal system , crystallography , sulfate , chemistry , crystal structure , sulfuric acid , hydrogen bond , adduct , molecule , stereochemistry , inorganic chemistry , amino acid , glycine , organic chemistry , biochemistry
The crystal structure of an adduct of sarcosine with sulfuric acid, (C 3 NO 2 H 8 ) 2 SO 2− 4 , has been determined at low temperature (140 K). The crystals are triclinic, space group = P 1 with the unit cell dimensions, a = 7.623(1) Å, b = 11.538(2) Å, c = 14.214(2) Å, α = 71.46(2)°, β = 74.36(2)°, γ = 86.46(2)°. Based on 4924 reflections with intensities larger than 3σ(I), the structure was refined to a conventional R factor of 0.038 giving e.s.d.s. in bond lengths and angles of 0.003 Å and 0.2°, respectively. There are two formula units in the asymmetric unit and both sulfate ions exist in two disordered orientations. The sulfate group 1 occupies the two orientations in the proportion 0.82/0.18 and sulfate group 2 in proportion 0.69/0.31. Both Orientations of the sulfate groups satisfy the hydrogen bonding scheme equally well. There is also a pseudo‐symmetry element within the asymmetric unit as one half of this unit is transformcd into the other by a translation of approximately one half along the b ‐ and c ‐axes. Thus, sarcosine molecule 1 is translated to sarcosine IV and sarcosine II to III. In the same manner, the sulfate group I in its main orientation is translated to the sulfate group 2 in its alternative orientation and vice versa.