منابع مشابه
3-Methyl-2-propionamidobutanoic acid
The reaction of propionyl isothio-cyanate with valine was found to give the title compound, C(8)H(15)NO(3), instead of the expected thio-urea product. The whole mol-ecule is non-planar and the carbonyl group is cis to the methyl-butanoic acid group across the C-N bond. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds build up a two-dimensional network developing parallel to (100).
متن کامل2-Methyl-3-(3-methylphenyl)acrylic acid
The crystal structure of the title compound, C(11)H(12)O(2), consists of dimers which are formed due to inter-molecular O-H⋯O hydrogen bonding. The dimers are linked to each other by C-H⋯O hydrogen bonds, where C-H belongs to the benzene ring and the O atom is of a carbonyl group of an adjoining mol-ecule. There exist two inter-molecular C-H⋯O hydrogen bonds which form five-membered rings. Ther...
متن کامل2-Methyl-3-(4-nitrophenyl)acrylic acid
The title compound, C(10)H(9)NO(4), forms R(2) (2)(8) dimers due to inter-molecular O-H⋯O hydrogen bonding in the crystal structure. Two dimers are further linked to each other through two inter-molecular C-H⋯O hydrogen bonds, forming an R(3) (3)(7) ring motif. The nitro groups form an intra-molecular C-H⋯O hydrogen bond mimicking a five-membered ring. As a result of these hydrogen bonds, polym...
متن کاملInvestigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters
In this research at the first 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η)...
متن کامل2-Methyl-3-nitrobenzonitrile
The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol-ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intra-molecular C-H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-e...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2009
ISSN: 1600-5368
DOI: 10.1107/s1600536809007119