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Studies in molecular structure, symmetry and conformation VI. Crystal and molecular structure of 1-aminocyclopentane carboxylic acid monohydrate

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Abstract

1-aminocyclopentane carboxylic acid monohydrate is monoclinic: space groupP21/c,a = 11·24,b = 6·27,c = 11·22 Å and β = 97·6 °. The crystal structure was solved by the symbolic addition method and refined to anR factor of 12·1%. The cyclopentane ring is disordered; one of the carbon atoms exists in two alternative sites, leading to two possible conformations both of which are of the envelope type.

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The authors wish to thank Professor R. Srinivasan for valuable discussions and Professor G. N. Ramachandran for his keen interest. The full-matrix least-squares refinement program used was that of Gantzel, Sparks and Trueblood, modified for the CDC 3600 computer by Zalkin, Lundgren, Liminga and Braenden. The sigma 2 search program used was that of Dr. S. T. Rao. Thanks are due to these individuals for making available their programs. This work was supported in part by Grant NB-05306 to R. Zand from the National Institute of Neurological Diseases and Stroke, National Institute of Health.

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Mallikarjunan, M., Chacko, K.K. & Zand, R. Studies in molecular structure, symmetry and conformation VI. Crystal and molecular structure of 1-aminocyclopentane carboxylic acid monohydrate. Journal of Crystal and Molecular Structure 2, 53–66 (1972). https://doi.org/10.1007/BF01245860

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