TY - JOUR
T1 - Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4H-1,3- thiazin-3-ium chloride
AU - Gutierrez, Julio
AU - Eisenberg, Rodney
AU - Herrensmith, Gabrielle
AU - Tobin, Thomas
AU - Li, Tonglei
AU - Long, Sihui
PY - 2010/12
Y1 - 2010/12
N2 - Details of the structures of two conformational polymorphs of the title compound, C12H17N2OS+·Cl -, are reported. In form (I) (space group P1̄), the two N - H groups of the cation are in a trans conformation, while in form (II) (space group P21/c), they are in a cis arrangement. This results in different packing and hydrogen-bond arrangements in the two forms, both of which have extended chains lying along the a direction. In form (I), these chains are composed of centrosymmetric R42(18) (N - H⋯Cl and O - H⋯Cl) hydrogen-bonded rings and R4 2(18) (N - H⋯O) hydrogen-bonded rings. In form (II), the chains are formed by centrosymmetric R42(18) (N - H⋯Cl and O - H⋯Cl) hydrogen-bonded rings and by R4 2(12) (N - H⋯Cl) hydrogen-bonded rings.
AB - Details of the structures of two conformational polymorphs of the title compound, C12H17N2OS+·Cl -, are reported. In form (I) (space group P1̄), the two N - H groups of the cation are in a trans conformation, while in form (II) (space group P21/c), they are in a cis arrangement. This results in different packing and hydrogen-bond arrangements in the two forms, both of which have extended chains lying along the a direction. In form (I), these chains are composed of centrosymmetric R42(18) (N - H⋯Cl and O - H⋯Cl) hydrogen-bonded rings and R4 2(18) (N - H⋯O) hydrogen-bonded rings. In form (II), the chains are formed by centrosymmetric R42(18) (N - H⋯Cl and O - H⋯Cl) hydrogen-bonded rings and by R4 2(12) (N - H⋯Cl) hydrogen-bonded rings.
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U2 - 10.1107/S0108270110045099
DO - 10.1107/S0108270110045099
M3 - Article
C2 - 21123891
AN - SCOPUS:78649882660
SN - 0108-2701
VL - 66
SP - o593-o595
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
IS - 12
ER -