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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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SCImago Journal Rank (SJR) 2018: 0.892
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Volume 212, Issue 7


The structure of 6-(2-hydroxybenzylamino)purine acetic acid solvate

Z. Trávníček / J. Marek / K. Doležal / M. Strnad
Published Online: 2010-07-28 | DOI: https://doi.org/10.1524/zkri.1997.212.7.538


The crystal and molecular structure of the title compound, C12H11N5O1 · C2H4O2, has been elucidated at 298 K by a single crystal X-ray diffraction. The colorless crystals are monoclinic, space group P21/c, with unit cell dimensions a = 10.303(2) Å, b = 5.4863(8) Å, c = 26.209(3) Å, β = 91.18(2)°, Z = 4, Dc = 1.351 Mg m−3. The structure was solved by direct methods and refined by full-matrix least-squares procedure to final R = 0.046 for 1419 observed reflections (I > 2σ(I)). The structure is stabilized by intra- and intermolecular hydrogen bonds. An unusual decline in cytokinin activity of the present compound is most likely caused by the existence of hydrogen bond between the N6-side chain OH group and the N(1) purine atom [O(16)–H(16) … N(1) = 1.82(4) Å].

About the article

Published Online: 2010-07-28

Published in Print: 1997-07-01

Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 212, Issue 7, Pages 538–541, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.1997.212.7.538.

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