<abstract xmlns="http://www.w3.org/1999/xhtml">We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl( 2R*,3S*,4S*)-4-(benzo[d]thiazol-2-ylamino)-2-hydroxy-2-ethylchromane-3-carboxylate (I), C21H22N2O4S, which crystallizes as racemate in the space group C2/c. Its structure has been solved using X-ray diffraction data obtained at low temperature (100(2) K). In this compound, the chromane 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 O-H∙∙∙N and N-H∙∙∙O hydrogen bonds, resulting in a twodimensional network which helps stabilizing the crystal structure of the compound (I). Dihedral angle between the chromane and benzothiazol rings is 80.6(1)0.</abstract>

We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl( 2R*,3S*,4S*)-4-(benzo[d]thiazol-2-ylamino)-2-hydroxy-2-ethylchromane-3-carboxylate (I), C21H22N2O4S, which crystallizes as racemate in the space group C2/c. Its structure has been solved using X-ray diffraction data obtained at low temperature (100(2) K). In this compound, the chromane 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 O-H∙∙∙N and N-H∙∙∙O hydrogen bonds, resulting in a twodimensional network which helps stabilizing the crystal structure of the compound (I). Dihedral angle between the chromane and benzothiazol rings is 80.6(1)0.

Biological Activity, Structural Characterization and Crystal Packing of Chromane-Carboxylate Derivatives

Acta Chimica Slovaca

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl(...

Biological Activity, Structural Characterization and Crystal Packing of Chromane-Carboxylate Derivatives

Data publikacji: 06 lip 2018

Zakres stron: 1 - 5

DOI: https://doi.org/10.2478/acs-2018-0001

Słowa kluczowe
carboxylates, crystal structure, chromane, hydrogen bonding

© 2018 Viktor Vrábel, published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Biological Activity, Structural Characterization and Crystal Packing of Chromane-Carboxylate Derivatives

Data publikacji: 06 lip 2018

Zakres stron: 1 - 5

DOI: https://doi.org/10.2478/acs-2018-0001

Słowa kluczowecarboxylates, crystal structure, chromane, hydrogen bonding

© 2018 Viktor Vrábel, published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Słowa kluczowe
carboxylates, crystal structure, chromane, hydrogen bonding