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Crystal and Molecular Structure of (±)‐8,8‐Dimethyl‐6,7‐diazabicyclo[3.3.0]octa‐1,6‐diene 7‐oxide
Author(s) -
Maverick Andrew W.,
Maverick Emily F.,
Olsen Henrik
Publication year - 1980
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19800630522
Subject(s) - chemistry , orthorhombic crystal system , crystal structure , crystallography , intermolecular force , crystal (programming language) , oxide , group (periodic table) , stereochemistry , molecule , organic chemistry , computer science , programming language
The exclusive product of thermal rearrangement of (±)‐7‐isopropylidene‐2,3‐diazabicyclo[2.2.1]hept‐2‐ene N ‐oxide (2) has been identified as the title compound (1). The compound crystallizes in the orthorhombic space group Pbca (No. 61), with a = 8.953 (2), b = 12.740 (2), c =14.446 (3) Å; Z = 8; p x =1.227 g cm −3 . The details of the molecular structure are not unusual, except for a long C–N distance (C(8)–N(7), 1.560 (4) Å). No significant short intermolecular contacts are observed in the crystal.