Lynch Daniel E, McClenaghan Ian
School of Science and the Environment, Coventry University, Coventry CV1 5FB, England.
Acta Crystallogr C. 2004 Nov;60(Pt 11):o815-7. doi: 10.1107/S0108270104023418. Epub 2004 Oct 22.
The structures of 2-acetamido-4-tolyl-1,3-thiazole, C(12)H(12)N(2)OS, (I), and 2-amino-4-tolyl-1,3-thiazolium chloride dihydrate, C(10)H(11)N(2)S(+).Cl(-).2H(2)O, (II), reveal that both molecules are essentially planar, with the respective dihedral angles between the benzene and thiazole rings being 2.9 (1) and 10.39 (7) degrees . Compound (I) associates via a single N-H...O interaction to form a flat alternate-facing hydrogen-bonded chain [graph-set C(2)(2)(4)]. Compound (II) packs with the hydrogen-bonding associations of the Cl atoms and the water molecules creating a convoluted hydrogen-bonded ribbon made up of five-membered donor-acceptor rings, involving three water O atoms (with associated H atoms) and two Cl atoms. The thiazolium rings form stacked columns, aligned in the same direction as the hydrogen-bonded ribbons, of alternate-facing molecules that are also involved in the hydrogen-bonding network, linking to the Cl atoms and one of the water molecules. Subsequently, each Cl atom is the hydrogen-bond acceptor for five separate O/N-H associations.
2-乙酰氨基-4-甲苯基-1,3-噻唑（C₁₂H₁₂N₂OS，(I)）和2-氨基-4-甲苯基-1,3-噻唑鎓氯化物二水合物（C₁₀H₁₁N₂S⁺·Cl⁻·2H₂O，(II)）的结构表明，两个分子基本呈平面状，苯环和噻唑环之间各自的二面角分别为2.9 (1)度和10.39 (7)度。化合物(I)通过单一的N-H...O相互作用缔合形成一个扁平的交替面对的氢键链[图集合C(2)(2)(4)]。化合物(II)通过Cl原子与水分子的氢键缔合堆积，形成由五元供体-受体环组成的复杂氢键带，涉及三个水分子O原子（以及相关的H原子）和两个Cl原子。噻唑鎓环形成堆积柱，与氢键带的方向相同，由交替面对的分子组成，这些分子也参与氢键网络，与Cl原子和其中一个水分子相连。随后，每个Cl原子是五个单独的O/N-H缔合的氢键受体。
