TY - JOUR
T1 - 2-amino-5-nitrothiazole monoethanol solvate: triply-interwoven hydrogenbonded sheets containing centrosymmetric R-2(2)(8) and R-10(10)(38) rings
AU - Glidewell, C
AU - Low, J N
AU - Skakle, J M S
AU - Wardell, J L
PY - 2004
Y1 - 2004
N2 - 2-Amino-5-nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S.C2H6O, in which the thiazole component has a strongly polarized molecular-electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N-H...N hydrogen bonds [H...N=2.09 Angstrom, N...N=2.960 (6) Angstrom and N-H...N=169degrees], and these dimers are linked by the ethanol molecules, via a two-centred N-H...O hydrogen bond [H...O=1.98 Angstrom, N...O=2.838 (5) Angstrom and N-H...O=164degrees] and a planar asymmetric three-centred O-H...(O)(2) hydrogen bond [H...O=2.07 and 2.53 Angstrom, O...O=2.900 (5) and 3.188 (5) Angstrom, O-H...O=169 and 136degrees, and O...H...O=55degrees], into sheets built from alternating R-2(2)(8) and R-10(10)(38) rings. These sheets are triply interwoven.
AB - 2-Amino-5-nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S.C2H6O, in which the thiazole component has a strongly polarized molecular-electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N-H...N hydrogen bonds [H...N=2.09 Angstrom, N...N=2.960 (6) Angstrom and N-H...N=169degrees], and these dimers are linked by the ethanol molecules, via a two-centred N-H...O hydrogen bond [H...O=1.98 Angstrom, N...O=2.838 (5) Angstrom and N-H...O=164degrees] and a planar asymmetric three-centred O-H...(O)(2) hydrogen bond [H...O=2.07 and 2.53 Angstrom, O...O=2.900 (5) and 3.188 (5) Angstrom, O-H...O=169 and 136degrees, and O...H...O=55degrees], into sheets built from alternating R-2(2)(8) and R-10(10)(38) rings. These sheets are triply interwoven.
KW - NITROANILINE ANALOGS
KW - CRYSTAL
U2 - 10.1107/S0108270103024533
DO - 10.1107/S0108270103024533
M3 - Article
SN - 0108-2701
VL - 60
JO - Acta Crystallographica Section C, Crystal Structure Communications
JF - Acta Crystallographica Section C, Crystal Structure Communications
ER -