Acta Chimica Slovaca (ACS) publishes papers on fundamental and applied aspects of chemistry, biochemistry, chemical technology, chemical engineering and process control, biotechnology and food technology. Welcome are also topics which include chemical aspects of materials, physical chemistry and chemical physics, analytical chemistry, macromolecular chemistry and biomedical engineering.

Crystallographic characterization of a novel spiro-[chroman-chromene]-carboxylate

Viktor Vrábel *, Július Sivý a, Ľubomír Švorc, Jan Světlík b, Štefan Marchalín c

Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak Technical Uni-versity, Radlinského 9, SK-812 37 Bratislava, Slovak Republic
a Institute of Mathematics and Physics, Faculty of Mechanical Engineering, Slovak University of Technology, Námestie slobody 17, SK-812 31 Bratislava, Slovak Republic
b Department of Pharmaceutical Analysis and Nuclear Pharmacy, Faculty of Pharmacy, Comenius University, Odbojárov 10, Bratislava, SK-83232, Slovak Republic
c Institute of Organic Chemistry, Catalysis and Petrochemistry, Faculty of Chemical and Food Tech-nology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava, Slovak Republic

E-mail: *

Abstract: We report here the crystal and electronic structure of a new spiro-derivative, namely methyl (2R,4S)-4-(benzothiazol-2-ylamino)-8,8´-dimethoxyspiro[chroman-2,2´-chromene]-3´-carboxylate (I), C28H24N2O6S, which crystallizes as racemate in the space group C2/c. In this compound, the chromanone moiety consists of a benzene ring fused with a six-membered 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∙∙∙p, inter- and intra-molecular interactions resulting in a two-dimensional network in the crystal structure.

Keywords: Carboxylates, crystal structure, spiro chroman-chromene, hydrogen bonding

Full paper in Portable Document Format: acs_0290.pdf

Acta Chimica Slovaca, Vol. 10, No. 2, 2017, pp. 170—174, DOI: 10.1515/acs-2017-0028