Pratt Jamal, Hutchinson Janna, Stevens Cheryl L Klein
Department of Chemistry, Xavier University of Louisiana, New Orleans, LA 70125, USA.
Acta Crystallogr C. 2011 Dec;67(Pt 12):o487-91. doi: 10.1107/S0108270111041825. Epub 2011 Nov 5.
The X-ray crystal structures of solvates of sulfapyridine have been determined to be conformational polymorphs. 4-Amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide (polymorph III), C(11)H(11)N(3)O(2)S, (1), 4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide 1,3-dioxane monosolvate, C(11)H(11)N(3)O(2)S·C(4)H(8)O(2), (2), and 4-amino-N-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide tetrahydrofuran monosolvate, C(11)H(11)N(3)O(2)S·C(4)H(8)O, (3), crystallized as the imide form, while piperidin-1-ium 4-amino-N-(pyridin-2-yl)benzenesulfonamidate, C(5)H(12)N(+)·C(11)H(10)N(3)O(2)S(-), (4), crystallized as the piperidinium salt. The tetrahydrofuran and dioxane solvent molecules in their respective structures were disordered and were refined using a disorder model. Three-dimensional hydrogen-bonding networks exist in all structures between at least one sulfone O atom and the aniline N atom.
已确定磺胺吡啶溶剂化物的X射线晶体结构为构象多晶型物。4-氨基-N-(1,2-二氢吡啶-2-亚基)苯磺酰胺(多晶型物III),C(11)H(11)N(3)O(2)S,(1),4-氨基-N-(1,2-二氢吡啶-2-亚基)苯磺酰胺1,3-二氧六环单溶剂化物,C(11)H(11)N(3)O(2)S·C(4)H(8)O(2),(2),以及4-氨基-N-(1,2-二氢吡啶-2-亚基)苯磺酰胺四氢呋喃单溶剂化物,C(11)H(11)N(3)O(2)S·C(4)H(8)O,(3),以酰亚胺形式结晶,而哌啶-1-鎓4-氨基-N-(吡啶-2-基)苯磺酰胺酸盐,C(5)H(12)N(+)·C(11)H(10)N(3)O(2)S(-),(4),以哌啶鎓盐形式结晶。它们各自结构中的四氢呋喃和二氧六环溶剂分子无序,并使用无序模型进行精修。在所有结构中,至少一个砜O原子和苯胺N原子之间存在三维氢键网络。