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Crystal and molecular structure of 6‐( p ‐iodobenzenesulfonyl)‐3‐oxa‐6‐azabicyclo[3.1.0]hexane
Author(s) -
Trefonas L. M.,
Sato Tatsuo
Publication year - 1966
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570030402
Subject(s) - chemistry , monoclinic crystal system , ring (chemistry) , cyclopentane , bicyclic molecule , aziridine , crystal structure , crystallography , cyclohexane conformation , hexane , crystal (programming language) , group (periodic table) , stereochemistry , molecule , hydrogen bond , organic chemistry , computer science , programming language
The crystal and molecular structure of 6‐( p ‐iodobenzenesulfonyl)‐3‐oxa‐6‐azabicyclo‐[3.1.0]hexane has been determined by a three‐dimensional single‐crystal x‐ray diffraction study. The compound crystallizes in the monoclinic space group C 2 /c with cell dimensions, a = 19.76, b = 8.17, c = 15.72 ± 0.003 Å and β = 109.3° ± 0.2°. The aziridine ring is fused cis to the oxa‐cyclopentane ring with fusion angles of 112°. The bicyclic system is in the boat conformation with the p ‐iodobenzenesulfonate group at an angle of 98.0° to it. The conformation of the ring system is discussed. A final value of R = 0.099 was obtained for the 1107 independent reflections.