Crystal and electronic structure, N—H∙∙∙N and C—H∙∙∙O interactions in novel spiro-[chroman-chromene]-carboxylate
Viktor Vrábel *, Július Sivý a, Ľubomír Švorc, Jan Světlík b, Šafař Peter c
Institute of Analytical Chemistry, Faculty of Chemical and Food Technology, Slovak University of Technology, 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 Technology, Slovak University of Technology, Radlinského 9, SK-812 37 Bratislava, Slovak Republic
E-mail: * viktor.vrabel@stuba.sk
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 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_0275.pdf
Acta Chimica Slovaca, Vol. 10, No. 1, 2017, pp. 74—78, DOI: 10.1515/acs-2017-0013