X-rayStructureAnalysisOnline2015,VOL.31 2015©TheJapanSocietyforAnalyticalChemistryThesynthesis,elucidationofcrystalstructuresandinvestigation of the physical properties of new liquid crystals are important for studying the relationship between molecular structures and mesophases. 1,2 Numerous studies have been dedicated to structuralinvestigationsandthedeterminationsofthemolecular aggregationmechanisms.X-raycrystallographicanalysisplays animportantroleinobtaininginformationaboutintermolecular interactions controlling mesophases. The development of new types of crystals is an important and challenging subject from theoretical and practical views, because liquid-crystalline materialsarewidelyappliedincommunicationandinformation processingsystems.Recently,wepreparedliquidcrystalswith an N, N¢-bis(tropon-2-yl)piperazine core. 3 N,N¢-Bis(5-octyloxytropon-2-yl)piperazine(1)hadamonotropicsmecticC phase. 3 However, the crystal structure of 1 has not yet been reported. We now report on the structures of N,N¢-bis(5-octyloxytropon-2-yl)piperazine(1)withtheaimofcontributing to a deeper understanding of the relationships between mesomorphic properties and molecular packing in the crystal structure.N,N¢-Bis(5-octyloxytropon-2-yl)piperazine (1) was prepared by the condensation of piperazine and 2-methoxy-5-octyloxytroponeinanethanol-toluenesolution,asreportedina previouspaper. 3 Singlecrystalsof1weregrowninamixtureof chloroform-ethyl acetate (1:1 v/v) at room temperature. The datacollectionandrefinementparametersarelistedinTable1.TheHatomswerepositionedwiththeidealizedgeometry,and wererefinedtobeisotropic(Uiso(H)=1.2Ueq(C))usingariding modelwithC-H=0.95ÅforaromaticHatomsC-H=0.99Å formethyleneHatoms,andC-H=0.98ÅformethylHatoms. Theselectedbonddistancesandtorsionanglesarecollectedin Table2.AnORTEPdrawingofmoleculeof1isshowninFig.2.The
Crystal Structure of N,N¢-Bis(5-octyloxytropon-2-yl)piperazineKanji KUBO,* † Emi YAMAMOTO,** Taisuke MATSUMOTO,*** and Akira MORI***