Effect of Terminal Groups on Formation of Crystal Structure in α,γ-Disubstituted n-Alkanes

✍ Scribed by H. Kobayashi; T. Yamamoto; Dr.; Prof. N. Nakamura

• Publisher: John Wiley and Sons
• Year: 1995
• Tongue: English
• Weight: 350 KB
• Volume: 30
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.2170300316

✦ Synopsis

Abstract

The crystal and molecular structure of 1,16‐dibromohexadecane have been determined by X‐ray diffraction. Crystal data; empirical formula, C~16~H~32~Br~2~, formula weight M~r~ = 384.24, monoclinic, P2~1~/a, a = 31.00(2), b = 5.38(1), c = 5.48(1) Å, β = 90.8(2)°, V = 914(3) Å^3^, Z = 2, D~x~ = 1.396 g/cm^3^, δ(CuKα) = 1.5418 Å, μ(CuKα) = 55.41 cm^−1^, F(000) = 396.00, T = 293 ± 1 K, wR = 0.082, R = 0.054 for 940 unique reflections [I > 3.00σ(I)]. The molecular skeleton has an all trans zigzag hydrocarbon chain. The crystal has a layer structure, but the directions of molecular axes in neighbouring layers alternate. This molecular packing resembles to that of 1,16‐hexadecanediol, whereas n‐alkanes or α‐monosubstituted n‐alkanes do not appreciably have these molecular arrangement. The effect of terminal groups at both ends of α,ω‐disubstituted n‐alkanes on the crystal structure is discussed.