ISSN:
1600-5740
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The crystal structure of 2,4,6-triisopropylbenzenesulfonamide, C15H25NO2S, has been solved from X-ray powder diffraction data collected at 120 (1) K using synchrotron radiation and refined by Rietveld methods. The structure was solved by the application of a Monte Carlo method in which trial structures were generated by random movement of the molecule in the unit cell and assessed using a full-profile-fitting technique. Intramolecular flexibility was introduced into the structure solution in the form of four independent asymmetric rotors, allowing the isopropyl and sulfonamide groups to rotate freely within the molecule. The structure is monoclinic P21/c, a = 16.9600 (6), b = 8.1382 (2), c = 11.7810 (2) Å, β = 104.777 (2)° with Z = 4. The molecules are linked by N—H...O hydrogen bonds, with N...O distances of 2.77 (1) and 2.92 (1) Å, into two-dimensional sheets built from R^2_2(8) and R^6_6(20) rings.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108768199006060
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