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1-(7-Iso-propyl-2,5-di-methyl-8-nitro-naphthalen-1-yl)ethanone

机译:1-(7-异丙基-2,5-二甲基-8-硝基萘-1-基)乙酮

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摘要

The title compound, C17H19NO3, was synthesized in three steps from a mixture of -, - and -himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica). The dihedral angle between the two rings of the naphthalene moiety is 2.54 (5). The nitro group and the acetyl group lie almost normal to the mean plane of the naphthalene moiety, making dihedral angles of 80.29 (13) and 83.01 (15), respectively, and are inclined to one another by 13.23 (19). There is an intramolecular C—HO hydrogen bond present involving a nitro O atom and the H atom of the methine C atom of the isopropyl group, forming an S(6) ring motif. In the crystal, molecules are linked by pairs of C—H interactions, forming inversion dimers. There are no other significant intermolecular interactions present.
机译:标题化合物C17H19NO3是由-,-和-himachalene的混合物分三步合成的,后者是从阿特拉斯雪松(Cedrus atlantica)的香精油中分离得到的。萘部分的两个环之间的二面角为2.54(5)。硝基和乙酰基几乎垂直于萘部分的平均平面,分别形成80.29(13)和83.01(15)的二面角,并彼此倾斜13.23(19)。存在分子内的C-HO氢键,其涉及硝基O原子和异丙基次甲基C原子的H原子,形成一个S(6)环基序。在晶体中,分子通过成对的CH相互作用连接,形成反型二聚体。没有其他重要的分子间相互作用。

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