Sopková-de Oliveira Santos Jana, Verhaeghe Pierre, Lohier Jean François, Rathelot Pascal, Vanelle Patrice, Rault Sylvain
Centre d'Etudes et de Recherche sur le Médicament de Normandie (CERMN), Université de Caen, 5 rue Vaubénard, 14032 Caen, France.
Acta Crystallogr C. 2007 Nov;63(Pt 11):o643-5. doi: 10.1107/S0108270107046550. Epub 2007 Oct 13.
The crystal structures of closely related quinoline compounds substituted at the 2-position by a vinyl group, either including a Cl atom [2-(1-chloro-2-methylprop-1-enyl)-8-nitroquinoline, C(13)H(11)ClN(2)O(2), (I)] or not [2-(2-methylprop-1-enyl)-8-nitroquinoline, C(13)H(12)N(2)O(2), (II)], show an important deviation of the vinyl group from coplanarity with the quinoline ring system if the Cl atom is present. The nitro group is perpendicular [in (II)] or nearly so [in (I)] to the quinoline ring system. In (II), all non-H atoms except the nitro O atoms are located on a crystallographic mirror plane.
在2位被乙烯基取代的密切相关喹啉化合物的晶体结构中，乙烯基要么含有一个氯原子[2-(1-氯-2-甲基丙-1-烯基)-8-硝基喹啉，C(13)H(11)ClN(2)O(2)，(I)]，要么不含氯原子[2-(2-甲基丙-1-烯基)-8-硝基喹啉，C(13)H(12)N(2)O(2)，(II)]，如果存在氯原子，乙烯基与喹啉环系的共面性会出现显著偏差。硝基与喹啉环系垂直[在(II)中]或近乎垂直[在(I)中]。在(II)中，除硝基O原子外的所有非H原子都位于一个晶体学镜面。
