Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 12 (December 2002)

Acta Cryst. (2002). C58, o704-o707 [doi:10.1107/S0108270102019194]

2-(Pyrrolidin-1-yl)-1,4-naphthoquinone and 2-phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone

D. E. Lynch and I. McClenaghan

Abstract: The structure of 2-(pyrrolidin-1-yl)-1,4-naphthoquinone, C₁₄H_12.95Cl_0.05NO₂, (I), is actually a 0.95:0.05 mixture including 2-chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone as a minor impurity, but (I) was resolved as a single molecule containing a Cl atom with 5% occupancy at the 3-position. Compound (I) was prepared from the fully chloro-substituted analogue in an attempt to produce the disubstituted pyrrolidinyl derivative. 2-Phenylsulfanyl-3-(pyrrolidin-1-yl)-1,4-naphthoquinone, C₂₀H₁₇NO₂S, (II), was also prepared from 2-chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone, using a strong exocyclic nucleophile. The structure of (II) differs from previous structures of 2,3-dichloro-1,4-naphthoquinone and its derivatives in that the naphthoquinone ring is non-planar.

Formula: C₁₄H_12.95Cl_0.05NO₂ and C₂₀H₁₇NO₂S

Online 8 November 2002


	Structure factor file (CIF format) (121.4 kbytes) Contains datablock I

	Structure factor file (CIF format) (182.2 kbytes) Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.