【摘 要】
：
The title compound C18H16N4O3 (Mr = 336.35) has been synthesized and characte- rized by elemental analysis and single-crystal X-ray diffraction. The Schiff base
【机 构】
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Department of Chemistry
【基金项目】
：
the Phytochemistry Key Laboratory of Shaanxi Province
论文部分内容阅读
The title compound C18H16N4O3 (Mr = 336.35) has been synthesized and characte- rized by elemental analysis and single-crystal X-ray diffraction. The Schiff base compound is a deri- vative of 4-aminoantipyrine. As expected, the molecular structure adopts a trans configuration about the central C=N double bond. It crystallizes in orthorhombic, space group P21/c with a = 7.632(1), b = 7.816(1), c = 28.082(5)(A), β = 96.18(1)°, V = 1665.48(51)(A)3, Z = 4, Dc = 1.341 g/cm3, F(000) = 704, μ = 0.094 mm-1, the final R = 0.0448 and wR = 0.1058. Of the total 3748 collections, 3105 were unique. In the molecule there exist two different planes of pyrazoline and C(11)～C(16) phenyl ring, which are approximately coplanar (r.m.s. de deviation from the combined mean plane is 0.03(A)) with the dihedral angle between them of 9.8°.
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