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A novel hydrochloride quaternary ammonium salt (E)-4-(benzyloxy)-2-(cinnamo- yloxy)-N,N,N-trimethyl-4-oxobutan-1-aminium chloride (C23H29NO4Cl2, Mr = 454.37) has been synthesized via the sequence of acetylation and esterification by using L-carnitine (L-4-N-trimethy- lammonium-3-hydroxybutyric acid, LC) and cinnamic acid as the starting materials, and its crystal structure was determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P212121 with a = 10.1670(4), b = 10.4488(4), c = 22.9795(11) ?, V = 2441.18(18) ?3, Z = 4, Dc = 1.236 g/cm3, μ(MoKα) = 0.293 mm?1, F(000) = 960, Flack factor = –0.01(11), the final R = 0.0489 and wR = 0.1550 for 3350 observed reflections (I > 2σ(I)) and R = 0.0953 for all 5648 unique reflections. The crystal structure involves a conjugated system which shows a reverse olefin structure.
A novel hydrochloride quaternary ammonium salt (E) -4- (benzyloxy) -2- (cinnamo-yloxy) -N, N, N-trimethyl- 4-oxobutan- 1 -aminium chloride (C23H29NO4Cl2, Mr = 454.37) via the sequence of acetylation and esterification by using L-carnitine (LC-4-N-trimethy lammonium-3-hydroxybutyric acid, LC) and cinnamic acid as the starting materials, and its crystal structure was determined by single- ray diffraction method. The crystal belongs to monoclinic space group P212121 with a = 10.1670 (4), b = 10.4488 (4), c = 22.9795 (11) ?, V = 2441.18 (18)? 3, Z = 4, Dc = 1.236 g / cm3, μ (MoKα) = 0.293 mm -1, F (000) = 960, Flack factor = -0.01 (11), the final R = 0.0489 and wR = 0.1550 for 3350 observed reflections (I> 2σ I)) and R = 0.0953 for all 5648 unique reflections. The crystal structure involves an conjugated system which shows a reverse olefin structure.