Exprimental and theoretical charge density studies and topological analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitryle: case of antiparallel cyano-cyano interaction
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چکیده
منابع مشابه
1-Methyl-5-nitro-1H-imidazole
In the title compound, C(4)H(5)N(3)O(2), the nitro group is twisted with respect to the imidazole ring by a dihedral angle of 5.60 (2)°. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonding is present in the crystal structure.
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Two series (a and b) of N- substituted heteroaromatic compounds related to clotrimazole were synthesized. Imidazole ring of the clotrimazole was replaced by 2-methylimidazole in series a, and by 2-methyl-4-nitroimidazole in series b. O-cholortrityl moiety of clotrimazole was also replaced by trityl, mono or dimethoxy trityl. Chemical structures...
متن کاملEthyl 5-cyano-4-[2-(2,4-dichlorophenoxy)acetamido]-1-phenyl-1H-pyrrole-3-carboxylate
In the title compound, C(22)H(17)Cl(2)N(3)O(4), the pyrrole ring and the 2,4-dichloro-phenyl group form a dihedral angle of 8.14 (13)°; the phenyl ring is twisted with respect to the pyrrole ring, forming a dihedral angle of 60.77 (14)°. The C=O bond length is 1.213 (3) Å, indicating that the mol-ecule is in the keto form, associated with a -CONH- group, and the amide group adopts the usual tra...
متن کاملCrystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]prop-2-enoate
The title compound, C16H16N4O2, crystallizes with two mol-ecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7 (2) and -36.9 (2)...
متن کامل1-(3-Chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide
In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H⋯N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H⋯O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2011
ISSN: 0108-7673
DOI: 10.1107/s0108767311088726