Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 6 (June 2004)


organic compounds



tr1074 scheme

Acta Cryst. (2004). C60, o390-o392    [ doi:10.1107/S0108270104007930 ]

1,2,5-Substituted derivatives of 2-phenylpyrrolidine

R. Tamazyan, H. Karapetyan, A. Martirisyan, V. Martirosyan, G. Harutyunyan and S. Gasparyan

Abstract: The structures of the potential anti-human-immunodeficiency virus type 1 (HIV-1) non-nucleoside reverse transcriptase inhibitors (NNRTI) 1-tert-butoxycarbonyl-2-phenylpyrrolidine-2-carboxylic acid, C16H21NO4, (I), and 2-ammoniomethyl-1-benzyl-5-oxo-2-phenylpyrrolidine chloride, C18H21N2O+·Cl-, (II), have been investigated by X-ray diffraction. The investigations confirm a butterfly-like conformation for both compounds. In (I), the pyrrolidine ring has a marked half-chair conformation, while it has a weakly pronounced envelope conformation in (II). Intermolecular hydrogen bonds, viz. O-H...O in (I), and N-H...O and N-H...Cl in (II), build infinite chains in both structures. Rotational disorder of the three methyl groups is observed in (I).

Formula: C16H21NO4 and C18H21N2O+·Cl-


hkldisplay filedownload file

Structure factor file (CIF format) (111.7 kbytes)
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (233.5 kbytes)
Contains datablock II


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