Crystal structure of abrine

descriptionPublicationkeyboard_double_arrow_right Article 01 Mar 1993 English Publisher:Springer Science and Business Media LLCJournal:Journal of Crystallographic and Spectroscopic Research, volume 23, pages 167-170 (issn: 0277-8068, eissn: 1572-8854,

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Authors: J. Seetharaman; S. S. Rajan; R. Srinivasan;

doi: 10.1007/bf01190041

Crystal structure of abrine

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Abstract

The crystal structure of abrine (N-methyl L-tryptophan, (C12H14N2O2) was determined by X-ray diffraction. Space groupP212121,a=5.372(1),b=8.595(1) andc=24.082(2)A,Z=4,D m=1.30(4) gcm−3,D x=1.304 gcm−3,R=0.039 andwR=0.042. The conformational parameters for this structure following the IUPAC nomenclature areφ=67.7(5)°, ϰ1=−175(4)°, K21=105.2(7)° and χ22=−66.4(7)°; the atom C9 in the present structure is gauche to N15 andtrans to C12. The molecules exist in a zwiterionic form and are stabilized in the unit cell by N-H⋯O hydrogen bonds.

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University of Madras
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