In the title compound, C(17)H(20)N(2)O(4)S, the aryl ring is positioned perpendicular to the dihydro-pyrimidine ring, the dihedral angle between the ring planes being 77.48 (9)°. The carboxyl-ate and methyl groups are in a cis conformation with respect to the C=C bond. The dihydro-pyrimidine ring adopts a twist-boat conformation. The crystal structure is stabilized by N-H⋯O and C-H⋯O inter-actions, the former resulting in mol-ecular chains along the b axis and the latter forming inversion dimers.
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http://dx.doi.org/10.1107/S1600536812017679 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
October 2020
A. N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 31 Leninsky Prospekt bldg 4, 119071 Moscow, Russian Federation.
The mol-ecular and crystal structures of the title compound, CHClNO, were investigated by single-crystal X-ray diffraction and a Hirshfeld surface analysis. The title compound was synthesized by a new type of reaction using Mg(ReO) as a new catalyst and a possible mechanism for this reaction is proposed. The six-membered ring adopts a half-chair conformation.
View Article and Find Full Text PDFIn Silico Pharmacol
October 2017
Stem Cell Research Division, Department of Biochemistry, National Institute of Nutrition (NIN), Indian Council of Medical Research (ICMR), Hyderabad, Telangana 500007 India.
Dihydropyrimidine derivatives possess many biological activities due to presence of pyrimidine ring structure in various nucleic acids, vitamins, coenzymes, uric acid and their derivatives. They have possessed broad spectrum actions like antibacterial, antifungal, antiviral, anticancer and antihypertensive etc. Before synthesis of compounds, it is good to predict biological activity using in silico methods.
View Article and Find Full Text PDFJ Pharm Bioallied Sci
October 2013
Department of Pharmaceutical Chemistry, Shri Sarvajanik Pharmacy College, Mehsana, Gujarat, India.
Introduction: A practical synthesis of pyrimidinone would be very helpful for chemists because pyrimidinone is found in many bioactive natural products and exhibits a wide range of biological properties. The biological significance of pyrimidine derivatives has led us to the synthesis of substituted pyrimidine.
Materials And Methods: With the aim of developing potential antimicrobials, new series of 5-cyano-6-oxo-1,6-dihydro-pyrimidine derivatives namely 2-(5-cyano-6-oxo-4-substituted (aryl)-1,6-dihydropyrimidin-2-ylthio)-N-substituted (phenyl) acetamide (C1-C41) were synthesized and characterized by Fourier transform infrared spectroscopy (FTIR), mass analysis, and proton nuclear magnetic resonance ((1)H NMR).
Acta Crystallogr Sect E Struct Rep Online
February 2013
X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281 (2) Å. This plane forms dihedral angles of 85.
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
November 2012
College of Chemical and Pharmaceutical Engineering, Hebei University of Science and Technology, Hebei Research Center of Pharmaceutical and Chemical Engineering, State Key Laboratory Breeding Base-Hebei Province, Key Laboratory of Molecular Chemistry for Drugs, Shijiazhuang 050018, People's Republic of China.
The title pyrimidine derivative, C(18)H(21)N(3)O(6), was obtained by the reaction of methyl 2-[2-(benzyl-oxycarbon-yl)amino-propan-2-yl]-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate with dimethyl sulfate in dimethyl sulfoxide. The mol-ecule has a V-shaped structure, the phenyl and the pyrimidine rings making a dihedral angle of 43.1 (1)°.
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