Date: Oct.1999

This structer was produced by RasMol,
and stucked by GifBuilder 0.5 (Yves Piguet, 1997)

ORTEP-III (Burnett, 1996) drawing

The dipeptide hybridized with nucleic acid base has been designed to investigate the cooperative interactions between the nucleic acid and polypeptide molecules. In series of cytosine-incorporated dipeptides, the molecules including tryptophan and tyrosine have been analyzed by X-ray diffraction method. They have taken the various conformations, and the structural analysis of the dipeptides which include the different amino acids are expected for the further consideration. In this paper, we report the crystal structure of cytosine-1-yl-(2-carboxyethyl)-L-alanine (C-Ala).

Paper: Crystal Structure of Cytosine and Alanine Hybrid Dipeptide, Cytosine-1-yl-(2-carboxyethyl)-L-Alanine
Mitsunobu DOI, Mariko TARUI, Noriko NOMOTO and Toshimasa ISHIDA
Analytical Sciences, 15, 713-714 (1999)

X-Ray Data Summary
formula2(C10 H14 N4 O4)
weight 508.5
symmetry triclinic
space group P1
Cell Crystal
a 8.533(8) Ang. description plate
b 8.947(4) Ang. colour Colorless
c 8.424(3) Ang. size (mm) 0.5x0.35x0.20
alpha 103.27(4) deg. Dx (g/ml) 1.452
beta 101.15(7) deg. F(000) 268
gamma 105.21(5) deg. mu(CuKa) 0.968
volume 581.6(6) Ang^3
Z 2
Diffrn measurementRefinementspace
device type Rigaku AFC5R/RU-200 Flack 0.0(5)
decay -2.0 % parameters 1001
index limit 0-h-9, -10-k-9, -9-L-9 restraints 3
theta (deg.) 5.36-62.53 R_factor_gt 0.0433
total reflections1980 wR_factor_gt 0.1208
reflections(obs) 1974 .gt. 2sigma(I) dela rho_max 0.283 e A^3
Structure delta rho_min -0.256 e A^3
solution SHELXL-97 shift/su_max0.074
refinementSHELXL-97 Goodness of fit 0.963

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