Synthesis and Crystal Structure of Di-p-bromobenezenesulfonyl-macluraxanthone

N. Boonnak, S. Chantrapromma, Hoong-Kun Fun, Chatchanok Karalai
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Abstract

The title compound was synthesized and characterized by single crystal X-ray diffraction. The compound crystallizes in the triclinic space group P1; a = 7.4092(5), b = 13.9154(11), c = 16.9139(11)A, α = 101.576(4), β = 95.892(4) and γ = 99.859(4)°, V = 1666.1(2)A3, Z = 2 and Dx = 1.661 g cm-3. In the molecular structure, the xanthene ring system is essentially planar and the chromene ring adopts a screw boat conformation. The 1,1-dimethyl-2-propenyl substituent is planarly attached to the attached benzene ring whereas the two p-bromobenzenesulfonyl groups are bisectionally and axially attached to the attached benzene ring. O-H…O intramolecular hydrogen bonds were observed in the molecular structure. In the crystal packing, the molecules are linked by weak C-H…O intermolecular interactions forming chains along the c-axis. The crystal structure is stabilized by intramolecular O-H…O hydrogen bond and weak C-H…O intra-and intermolecular interactions.
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二对溴苯磺酰基大杉酮的合成及晶体结构
合成了标题化合物,并用单晶x射线衍射对其进行了表征。化合物在三斜空间群P1中结晶;a = 7.4092(5), b = 13.9154(11), c = 16.9139(11) a, α = 101.576(4), β = 95.892(4), γ = 99.859(4)°,V = 1666.1(2)A3, Z = 2, Dx = 1.661 g cm-3。在分子结构上,杂蒽环体系基本上是平面的,而铬烯环则是螺旋船构象。1,1-二甲基-2-丙烯基取代基平面连接在苯环上,而两个对溴苯磺酰基则是轴向对分连接在苯环上。在分子结构中观察到O- h…O分子内氢键。在晶体填料中,分子通过弱的C-H…O分子间相互作用形成沿c轴的链。分子内的O- h…O氢键和分子间的弱C-H…O相互作用稳定了晶体结构。
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