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Crystal Structure of a Complex of Sarcosine with Barium Chloride
Author(s) -
Krishnakumar R. V.,
Natarajan S.
Publication year - 1995
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.2170300620
Subject(s) - sarcosine , chemistry , tetrahydrate , barium chloride , barium , crystallography , crystal structure , aqueous solution , zwitterion , hydrogen bond , molecule , inorganic chemistry , glycine , organic chemistry , biochemistry , amino acid
Single crystals of sarcosine barium chloride tetrahydrate were crystallised from a saturated aqueous solution containing stoichiometric amounts of sarcosine and barium chloride, in 2: 1 proportion. The intensity data were collected using a CAD‐4 diffractometer with graphite monochromated MoKα radiation. The crystal data are as follows: a = 7.235(1) Å, b = 10.668(4) Å, c = 15.686(3) Å, V = 1210.7 Å 3 , F.W. = 369.33, d expt , = 2.02 g · cm −3 , d calc = 2.026 g · cm −3 , Z = 4 and the space group is P2 1 2 1 2 1 . The structure has been solved to an R value of 0.02 for all the 1239 reflections with I > 2σ( I ). The sarcosine molecule exists as zwitterion in the structure. The barium ion is found to have 10‐fold coordination with nine oxygens and a chlorine taking part in coordination. All the water oxygens and chlorines take part in hydrogen bonds except carboxyl oxygens.