N. Panda et al. / Tetrahedron 59 (2003) 8399–8403
8403
˚
group orthorhombic P21212. Lattice constants (A)
a¼19.559(9), b¼12.716(7), c¼7.739(3), cell volume
graphic Data Centre, 12, Union Road, Cambridge CB2 1EZ,
UK; fax: þ44-1223-336033; or deposit@ccdc.cam.ac.uk).
3
˚
V¼1924.8(16) A , formula units/cell Z¼4, X-ray density
rx¼1.351 g cm23, number of independent reflections 1852,
unobserved [Fo,4s(Fo)] 401, R1¼0.059, wR2¼0.156,
Gof¼1.05.
Acknowledgements
X-Ray experiments, structure determinations and refine-
ments. Colourless needle-shaped crystals of 3 were grown
from methanol. The specimen used for X-ray experiments
had dimensions of 0.65£0.05£0.03 mm3. X-ray data
collection was executed on a Stoe four circle diffractometer
(Ni-filtered Cu Ka radiation) within an octand of reciprocal
space (h,k,l, 2u#1288) in the v–2u-scan modus with
variable scan range and variable scan speed. Two standard
reflections measured every 90 min showed no significant
variations during the data collection.
N. P. Sahu is indebted to CSIR for award of Emeritus
Scientist and N. Panda is thankful to DST for Junior
Research Fellowship. The authors are also thankful to Dr
J. R. Vedasiromoni, New Drug Development Division,
Indian Institute of Chemical Biology for carrying out the
studies against leukemic cell lines.
References
Structure solution and refinement (programs SIR9213 and
SHELXL14) ran routinely. In addition to the title molecule,
the oxygen atom of a water molecule was found, localised
on the crystallographic two-fold axis. C, N and O atoms
were refined anisotropically; isotropic displacement par-
ameters were assigned to all the hydrogens, which could be
located from a difference synthesis, except for the hydro-
gens of the crystal water molecule. After convergence of all
parameters (R1¼5.9%, Rw¼15.6%), no significant peaks or
holes were seen in a final difference synthesis.
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1
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1
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3. Supplementary material
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CCDC 211194 (Deposition number) contains the sup-
plementary crystallographic data for this paper. These data