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The crystal structure of the title compound, C16H11N3O3, has been determined from X-ray powder data. The molecule is slightly non-planar. The structure adopts a stacking arrangement, with the stacks extended along [001]. The AM1 calculations of the crystal electrostatic potential show that the crystal environment causes only a moderate (23%) increase in the molecular dipole moment of the title compound.
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Yatsenko et al. (2001) studied this question.
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