Aridoss G, Gayathri D, Velmurugan D, Kim M S, Jeong Yeon Tae
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1708-9. doi: 10.1107/S1600536809023836.
The title compound, C(23)H(24)BrNO(4), crystallizes with two independent mol-ecules per asymmetric unit. The methyl group of the ethoxy-carbonyl unit is disordered over two positions, with occupancies of 0.715 (12) and 0.285 (12) in one of the independent mol-ecules, and 0.529 (11) and 0.471 (11) in the other mol-ecule. In one of the independent mol-ecules, the tetra-hydro-pyridine ring adopts a half-chair conformation, while in the other it is in a distorted envelope conformation. In each independent mol-ecule, an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The two independent mol-ecules are linked via C-H⋯O hydrogen bonds, forming a chain along the c axis.
标题化合物C(23)H(24)BrNO(4),每个不对称单元含有两个独立分子。在一个独立分子中,乙氧羰基单元的甲基在两个位置上无序分布,占有率分别为0.715 (12) 和0.285 (12);在另一个分子中,占有率分别为0.529 (11) 和0.471 (11)。在一个独立分子中,四氢吡啶环呈半椅式构象,而在另一个分子中则呈扭曲的信封式构象。在每个独立分子中,分子内O-H⋯O氢键形成一个S(6)环 motif。两个独立分子通过C-H⋯O氢键相连,沿c轴形成一条链。