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tert-Butyl 3-(4-bromophenylsulfonyl)pyrrolidine-1-carboxylate

✍ Scribed by Yao, Zheng ;Li, Zhi-Gang ;Deng, Jian-Cheng ;Xu, Jing-Wei

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 888 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807032369

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✦ Synopsis

In the title compound, C 15 H 20 BrNO 4 S, the crystal packing is stabilized by C-HÁ Á ÁO hydrogen bonds and van der Waals interactions. The pyrrolidine ring adopts an envelope conformation.

Related literature

The preparation of a similar compound, 4-(4-bromobenzene)sulfonylpiperidine-1-carboxylic acid tert-butyl ester, was reported by Fletcher et al. (2002).

Experimental

Crystal data

C 15 H 20 BrNO 4 S M r = 390.29 Tetragonal, P42 1 c a = 18.424 (1) A c = 10.108 (1) A V = 3431.2 (5) A ˚3 Z = 8 Mo K radiation = 2.53 mm À1 T = 293 (2) K 0.33 Â 0.26 Â 0.15 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2002) T min = 0.493, T max = 0.707 18794 measured reflections 3390 independent reflections 2760 reflections with I > 2(I) R int = 0.056 Refinement R[F 2 > 2(F 2 )] = 0.033 wR(F 2

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Single-crystal X-ray study T = 123 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.104 Data-to-parameter ratio = 21.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.