Crystal and molecular structure of (1S,2S,4aS, 8aS)-N-(N-allyldiaminomethanethione)-1-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalenyl) acetamide |
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Authors: | E P Styngach S T Malinovskii L P Bets L A Vlad M Gdanets and F Z Makaev |
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Institution: | (1) Institute of Chemistry, Academy of Sciences, Chisinau, Moldova;(2) Mitskevich University, Poznan’, Poland |
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Abstract: | Crystal and molecular structure of a new homodrimanic compound (1S,2S,4aS, 8aS)-N-(N-allyldiaminomethanethione)-1-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalenyl) acetamide has been determined by X-ray
diffraction analysis. The crystal is monoclinic, unit cell parameters are: a = 9.577(2) Å, b = 7.414(1) Å, c = 16.856(3) Å; β = 94.83(3)°, space group P21, Z = 2, of composition C20H35N3O2S. Two cyclohexan fragments have ordinary structure and chair-configuration typical of this compound class in homodrimanic
skeleton. Ethanol molecule is located in the outer sphere. The withdrawal of carbon atoms from planar fragments of cyclohexan
rings varies within the limits from 0.722(5) Å to − 0.634(5) Å. A dihedral angle between the mean-square planes of the latter
equals 16.0(2)°, torsion angle (5)-(5)-(10)-(16) 171.0(1)° indicates their trans-joint. In the side non linear chain allyl group is connected to terminal nitrogen atom of thiosemicarbazide molecule. Intermolecular
hydrogen bonds between carbonyl atom of acetamide fragment, ethanol molecule, and donor-acceptor groups of thiosemicarbazide
moiety play the main part in crystal structure organization.
Original Russian Text Copyright ? 2005 by E. P. Styngach, S. T. Malinovskii, L. P. Bets, L. A. Vlad, M. Gdanets, and F. Z.
Makaev
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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 4, pp.785–789, July–August, 2005. |
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Keywords: | X-ray diffraction analysis homodrimanic skeleton configuration hydrogen bond crystal structure |
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