Perdih Franc
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2818. doi: 10.1107/S1600536812037002. Epub 2012 Aug 31.
In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide mol-ecule are twisted out of the plane of the aromatic ring with C-C-C-N torsion angles of 21.5 (4) and -33.5 (4)°, respectively. The 4-carbamoylpyridin-1-ium and isonicotinamide amide groups form R(2) (2)(8) hydrogen-bonded dimers via N-H⋯O=C inter-actions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloro-acetate anion. The pyridinium H atom also forms an N-H⋯O hydrogen bond with the trichloro-acetate anion. Due to the extended hydrogen bonding, including C-H⋯O and C-H⋯Cl interactions, all components in the structure aggregate into a three-dimensional supra-molecular framework.
在标题为1:1共晶体C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O的晶体结构中,4-氨甲酰基吡啶-1-鎓离子和异烟酰胺分子的酰胺基团扭转出芳香环平面,C-C-C-N扭转角分别为21.5 (4)°和-33.5 (4)°。4-氨甲酰基吡啶-1-鎓和异烟酰胺的酰胺基团通过N-H⋯O=C相互作用形成R(2) (2)(8)氢键二聚体。其余两个酰胺H原子:(i) 通过阳离子将二聚体连接到异烟酰胺,(ii) 从异烟酰胺连接到三氯乙酸根阴离子。吡啶鎓H原子也与三氯乙酸根阴离子形成N-H⋯O氢键。由于包括C-H⋯O和C-H⋯Cl相互作用在内的广泛氢键作用,结构中的所有组分聚集形成三维超分子框架。