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The crystal molecular structure of cis‐ 13,13‐dimethyl‐13‐azoniabicyclo [10.1.0] tridecane iodide
Author(s) -
Trefonas L. M.,
Towns R.,
Majeste R.
Publication year - 1967
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.5570040409
Subject(s) - chemistry , orthorhombic crystal system , crystallography , iodide , ring (chemistry) , aziridine , molecule , crystal (programming language) , crystal structure , hydrogen iodide , stereochemistry , hydrogen , organic chemistry , computer science , programming language
The crystal and molecular structure of cis‐13,13‐dimethyl‐13‐azoniabicyclo[10.1.0]tridecane iodide has been determined by a three‐dimensional, single‐crystal, x‐ray diffraction study. The compound crystallizes in the orthorhombic space group Pnam with cell dimensions a Q = 21.36 ± .01, b O = 9.07, c O = 8.29 Å. The aziridine ring is fused to the cyclododecane ring with fusion angles of 123.5°. The molecule is bisected by a mirror plane with the cyclododecane portion distorted from its anticipated square conformation. Transannular hydrogen interactions are estimated on the basis of geometric considerations. A final value of R = 0.112 was obtained for the 557 non‐equivalent reflections which were observed.