| Autor: |
Asma; Department of Studies in Chemistry, Mangalore University, Mangalagangotri, Mangalore-574 199, India., Kalluraya B; Department of Studies in Chemistry, Mangalore University, Mangalagangotri, Mangalore-574 199, India., Yathirajan HS; Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570 006, India., Rathore RS; Department of Bioinformatics, School of Earth, Biological and Environmental Sciences, Central University of South Bihar, Gaya-824 236, India., Glidewell C; School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2018 Nov 13; Vol. 74 (Pt 12), pp. 1783-1789. Date of Electronic Publication: 2018 Nov 13 (Print Publication: 2018). |
| DOI: |
10.1107/S2056989018015864 |
| Abstrakt: |
Four 1-aryl-1 H -pyrazole-3,4-di-carboxyl-ate derivatives, one acid, two esters and a dicarbohydrazide have been synthesized starting from 3-aryl sydnones, and structurally characterized. There is an intra-molecular O-H⋯O hydrogen bond in 1-phenyl-1 H -pyrazole-3,4-di-carb-oxy-lic acid, C 11 H 8 N 2 O 4 , (I), and the mol-ecules are linked into a three-dimensional framework structure by a combination of O-H⋯O, O-H⋯N, C-H⋯O and C-H⋯π(arene) hydrogen bonds. In each of the two esters dimethyl 1-phenyl-1 H -pyrazole-3,4-di-carboxyl-ate, C 13 H 12 N 2 O 4 , (II), and dimethyl 1-(4-methyl-phen-yl)-1 H -pyrazole-3,4-di-carboxyl-ate, C 14 H 14 N 2 O 4 , (III), C-H⋯O hydrogen bonds lead to the formation of cyclic centrosymmetric dimers: in (III), one of the meth-oxy-carbonyl groups is disordered over two sets of atomic sites having occupancies 0.71 (2) and 0.29 (2). An intra-molecular N-H⋯O hydrogen bond is present in the structure of 1-(4-meth-oxy-phen-yl)-1 H -pyrazole-3,4-dicarbohydrazide, C 12 H 14 N 6 O 3 , (IV), and the mol-ecules are linked into a three-dimensional framework structure by a combination of N-H⋯O, N-H⋯N, N-H⋯π(arene) and C-H⋯O hydrogen bonds. Comparisons are made with the structures of a number of related compounds. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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