Sutton P A, Cody V
Medical Foundation of Buffalo, NY 14203.
Acta Crystallogr C. 1989 May 15;45 ( Pt 5):757-60. doi: 10.1107/s0108270188013174.
1-(Diaminomethylene)-3-(3-sulfamoylphenyl)uronium chloride, C8H12N5O3S+.Cl, Mr = 293.71, monoclinic, P21/c, a = 10.148 (1), b = 7.881 (1), c = 15.286 (3) A, beta = 94.77 (1) degrees, V = 1218.2 A3, Z = 4, Dx = 1.601 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 4.838 cm-1, F(000) = 608, T = 294 K, R = 0.069 for 1779 data. The molecular conformation of the protonated arylamidinourea is completely planar and all amidinourea N atoms have considerable sp2 hybridization. The stable tautomeric form has an intramolecular hydrogen bond between the ureido O atom and an amidino N atom. All N atoms in the molecular packing make contact with the Cl- ion.
1-（二氨基亚甲基）-3-（3-氨磺酰基苯基）脲鎓氯化物，C8H12N5O3S⁺·Cl，Mr = 293.71，单斜晶系，P21/c，a = 10.148（1），b = 7.881（1），c = 15.286（3）Å，β = 94.77（1）°，V = 1218.2 ų，Z = 4，Dx = 1.601 g cm⁻³，λ（Mo Kα） = 0.71069 Å，μ = 4.838 cm⁻¹，F（000） = 608，T = 294 K，对于1779个数据R = 0.069。质子化芳基脒基脲的分子构象完全平面，所有脒基脲N原子具有相当大的sp²杂化。稳定的互变异构形式在脲基O原子和脒基N原子之间有分子内氢键。分子堆积中的所有N原子都与Cl⁻离子接触。
