Crystal Structure of 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2H)-one
نویسندگان
چکیده
منابع مشابه
Crystal structure of 3-amino-1,2,4-triazin-5(2H)-one.
because of various interesting biological activities.1 The tautomeric proton is highly effective at making strong intermolecular hydrogen binding with other heteroatoms of molecules involved with biological activity. The title compound 3-amino-1,2,4-triazin-5(2H)-one (6-azaisocytosine, Fig. 1), an isosteric isomer of isocytosine, can exist in several tautomeric forms, which have been discussed ...
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interpret the detailed mechanisms of reactions of tautomeric heterocycles properly. The correct dominant tautomeric structure also makes it possible to interpret the biological activity and functions of potential tautomeric heterocycles.1 Many of these aza/deaza analogues of purine and their nuclosides have drawn considerable interest in biological activity. Compound 6-amino-1,2,4-triazolo[3,4-...
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The crystal structure of the title compound, C7H4BrNO, has been determined, revealing a partial mol-ecular packing disorder such that a 180° rotation of the mol-ecule about the phenol C-O bond results in disorder of the bromine and nitrile groups. The disorder has been parameterized as a disorder of only the bromine and nitrile substituents on a unique phenol ring. An intra-molecular O-H⋯Br con...
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In the title compound, C(18)H(16)N(2)O(2), the central pyridazine ring forms dihedral angles of 77.08 (5)° and 84.62 (5)° with the two benzene rings. The dihedral angle between the two benzene rings is 68.18 (4)°. A very weak intra-molecular C-H⋯N hydrogen bond and an intra-molecular C-H⋯π inter-action occur. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and w...
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In the title mol-ecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol-ecules related by an inversion centre are paired via π-π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring mol-ecules. Inter-molecular N-H⋯N ...
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ژورنال
عنوان ژورنال: X-ray Structure Analysis Online
سال: 2010
ISSN: 1883-3578
DOI: 10.2116/xraystruct.26.61