title: Crystal structures of n-alkane with three functional groups in the middle and at both ends.
abstract: We synthesized a linear alkane, K35DA, with a main-chain carbon number n = 33 and three functional groups, a carbonyl group in the middle and carboxyl groups at both ends, and studied influences of the functional groups as well as chain length on morphologies of samples prepared by solution-grown and bulk crystallization methods (SG-K35DA and BK-K35DA) from differential scanning calorimetry (DSC), X-ray diffraction, and IR absorption measurements. Data analyses reveal that at room temperature an orthorhombic crystal of type P2(1)2(1)2(1), together with a considerable amount of amorphous fraction, is predominantly realized in BK-K35DA due to the van der Waals force between neighboring long methylene sequences, whereas a monoclinic type of crystal belonging to the same space group (P2(1)/c) as reported for linear dicarboxylic acid crystals with odd carbon numbers is coexistent for SG-K35DA. The crystalline structures appear to be distorted with increasing temperature, as the dipole-dipole interaction between the carbonyl groups tends to be weakened, and both orthorhombic and monoclinic crystals undergo the solid-solid phase transition to the hexagonal crystalline structure at a temperature about 10 K below their respective T(m)s, which can be regarded as a new example of the Brill transition.
authors.affiliation: Department of Molecular and Material Sciences, IGSES, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580, Japan. yamamoto@mm.kyushu-u.ac.jp
authors.forename: Hiroko
authors.initials: H
authors.lastname: Yamamoto
authors.forename: Satoshi
authors.initials: S
authors.lastname: Teshima
authors.forename: Norio
authors.initials: N
authors.lastname: Nemoto
authors.forename: Kohji
authors.initials: K
authors.lastname: Tashiro