| C-Ala
Cytosine-1-yl-(2-carboxyethyl)-L-alanine 
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
| formula | 2(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 measurement | Refinementspace | ||
| 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 reflections | 1980 | 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_max | 0.074 |
| refinement | SHELXL-97 | Goodness of fit | 0.963 |
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