Crystal structure of 1-methylimidazole 3-oxide monohydrate

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Crystal structure of 1-methylimidazole 3-oxide monohydrate

1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z' = 2 (mol-ecules A and B). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag strands of ⋯NMI-O(A)⋯OH2⋯NMI-O(B)⋯OH2⋯ units by O-H⋯O hydrogen bonds. These chains propagate along t...

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In the title hydrate, C9H12N4S·H2O (systematic name: 3-methyl-1-{(E)-[(3-methyl-pyridin-2-yl)methyl-idene]amino}-thio-urea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic mol-ecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms are syn, and the amine H atoms are anti. The latter arrangement allows for the formation of an intra-molecular N...

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In the title compound, C5H4BrNO, there are two mol-ecules in the asymmetric unit that are related by a pseudo-inversion center. The two independent mol-ecules are approximately planar, with an observed (ring-ring) angle of 5.49 (13)°. The crystal structure exhibits a herringbone pattern with the zigzag running along the b-axis direction. The least-squares plane containing the rings of both asym...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Crystallographic Communications

سال: 2017

ISSN: 2056-9890

DOI: 10.1107/s2056989017002079