The structure of 6-(2-hydroxybenzylamino)purine acetic acid solvate
Abstract
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].
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- The structure of 6-(2-hydroxybenzylamino)purine acetic acid solvate
- Structural variations in the mercury(II) bis(1,1-dithiolate)s: the crystal and molecular structure of [Hg(S2CNMe2)2]
Articles in the same Issue
- Icosahedral coincidence rotations
- Localization and integration of diffraction spots from two-dimensional X-ray detector images by digital filtering
- Finite periodicity and crystal structures
- Structure determination from powder data using anomalous scattering: difference and partial, Patterson densities, and phases of structure factors
- Phase transitions of modulated Co-åkermanite, Ca2CoSi2O7
- Preparation and single crystal structure refinement of mixed orthophosphates M3Cr4(PO4)6 (M = Mg, Zn, Cu) – copper(II) in compressed octahedral coordination1
- Crystal structures of Ca5Ge3O11 and wollastonite-type GaGeO3
- One-dimensional staircase aggregates in crystals of 1,7-bis(dimethylamino)heptamethinium hexafluorophosphate, a polymethine dye
- Crystal structures of N-4-methyl phenyl)-2,2,2-trichloroacetamide, N-2,3-dimethyl phenyl)-2,2,2-trichloroacetamide and N-(2-nitro phenyl)-2,2,2-trichloroacetamide
- The structure of 6-(2-hydroxybenzylamino)purine acetic acid solvate
- Structural variations in the mercury(II) bis(1,1-dithiolate)s: the crystal and molecular structure of [Hg(S2CNMe2)2]
