Salorinne Kirsi, Tero Tiia-Riikka, Lahtinen Tanja
Department of Chemistry, Nanoscience Center, University of Jyväskylä, PO Box 35, FIN-40014 University of Jyväskylä, Finland.
Acta Crystallogr Sect E Struct Rep Online. 2013 Dec 18;70(Pt 1):o74. doi: 10.1107/S1600536813033448. eCollection 2014 Jan 1.
The title compound, C18H21BF2N2, is a lipophilic dye based on a BODIPY fluoro-phore backbone, which was developed for microscopic imaging of lipid droplets; the mol-ecule has a planar BODIPY core [dihedral angle between the pyrrole rings = 2.3 (3)°] and two tetra-methyl-ene substituents at the 2,3- and 5,6-positions in a half-chair conformation. One of the tetra-methyl-ene substituents is disordered over two two sets of sites with site occupancies of 0.5. In the crystal, pairs of C-H⋯F inter-actions link the mol-ecules into inversion dimers. Neighbouring dimers are linked by further C-H⋯F inter-actions, forming an infinite array. C-H⋯π and π-π [centroid-centroid distance = 4.360 (3) Å] inter-actions are observed between the BODIPY core and the tetra-methyl-ene substituents of neighbouring dimer pairs.
标题化合物C₁₈H₂₁BF₂N₂是一种基于BODIPY荧光团骨架的亲脂性染料，它是为脂质小滴的显微成像而开发的；该分子具有平面BODIPY核心[吡咯环之间的二面角 = 2.3 (3)°]，并且在2,3-和5,6-位具有两个处于半椅构象的四亚甲基取代基。其中一个四亚甲基取代基在两组位置上无序，占据率为0.5。在晶体中，C—H⋯F相互作用对将分子连接成反演二聚体。相邻的二聚体通过进一步的C—H⋯F相互作用相连，形成无限阵列。在BODIPY核心与相邻二聚体对的四亚甲基取代基之间观察到C—H⋯π和π-π[质心-质心距离 = 4.360 (3) Å]相互作用。
