Crystal and electronic structure, N–H⋯N and C–H⋯O interactions in novel spiro-[chroman-chromene]-carboxylate

Author:

Vrábel Viktor1,Sivý Július2,Švorc Ľubomír1,Světlík Jan3,Peter Šafař4

Affiliation:

1. Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava , Slovak Republic

2. Institute of Mathematics and Physics, Faculty of Mechanical Engineering, Slovak University of Technology, Námestie slobody 17, SK-812 31 Bratislava , Slovak Republic

3. Department of Pharmaceutical Analysis and Nuclear Pharmacy, Faculty of Pharmacy, Comenius University, Odbojárov 10, Bratislava , SK-83232, Slovak Republic

4. Institute of Organic Chemistry, Catalysis and Petrochemistry, Faculty of Chemical and Food Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava , Slovak Republic

Abstract

Abstract We report here the structure of new spiro-derivative, namely methyl (2R,4R)-4-(5-methylthiazol- 2-ylamino)spiro[chroman-2,2’-chromene]-3’-carboxylate, C23H20N2O4S, which crystallizes as racemate in the space group P-1. In this compound, the chromanone moiety consists of a benzene ring fused with a sixmembered heterocyclic ring which adopts a distorted half-chair conformation. The molecules are linked by a combination of N–H⋯N hydrogen bonds and weak C–H⋯O, C-H⋯S, C-H⋯π, inter- and intramolecular interactions resulting in a two-dimensional network in the crystal structure.

Publisher

Walter de Gruyter GmbH

Reference27 articles.

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3. Bernstein J, Davis RE, Shimoni L, Chang NL (1995) Angew. Chem. Int. Ed. Engl. 34: 1555-1573.

4. Bertleson RC (1971) Photochromism, edited by Brown GH. New York: John Wiley and Sons.

5. Brandenburg K (2001) DIAMOND. Crystal Impact GbR, Bonn, Germany.

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