Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 1 (January 2013)


organic compounds



qs3019 scheme

Acta Cryst. (2013). C69, 82-86    [ doi:10.1107/S0108270112048846 ]

Geometric changes around an N atom due to a urethane-type bis(tert-butoxycarbonyl) substituent

D. Wojewska, A. Kluczyk and K. Slepokura

Abstract: Two crystal structures of urethane-protected derivatives of aspartic acid dimethyl ester are presented, namely dimethyl (2S)-2-[(tert-butoxycarbonyl)amino]butanedioate, C11H19NO6, and dimethyl (2S)-2-{bis[(tert-butoxycarbonyl]amino}butanedioate, C16H27NO8. The geometry at the N atom is discussed and compared with similar structures. The analysis of singly and doubly N-substituted derivatives reveals an elongation of all bonds involving the N atom and conformational changes of the amino acid side chain due to steric interactions with two bulky substituents on the amino group.

Formula: C11H19NO6 and C16H27NO8


hkldisplay filedownload file

Structure factor file (CIF format) (119.7 kbytes)
[ doi:10.1107/S0108270112048846/qs3019Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (214.4 kbytes)
[ doi:10.1107/S0108270112048846/qs3019IIsup3.hkl ]
Contains datablock II


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