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Strained heterocyclic systems. 11 . Crystal and molecular structure of 1,2‐dihydrocyclobuta[ b ]quinoline
Author(s) -
Deroski Betty R.,
Markgraf J. Hodge,
Ricci John S.
Publication year - 1983
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.5570200505
Subject(s) - triclinic crystal system , chemistry , quinoline , ring (chemistry) , crystallography , crystal structure , crystal (programming language) , distortion (music) , group (periodic table) , unit (ring theory) , stereochemistry , organic chemistry , physics , amplifier , mathematics education , mathematics , cmos , computer science , programming language , optoelectronics
The structure of the title compound (1) has been elucidated by an X‐ray crystal determination. The crystals are triclinic, space group PI with a unit cell of dimensions a = 6.6109(5), b = 7.5939(4), c = 9.3171(6), α = 77.133(5), β = 75.566(6), γ = 63.575(5). The model was refined to an R value (unweighted) of 4.3% for 1551 independent reflections. The distortion of the heterocyclic ring, with a CNC bond angle of 112.5,° is in accordance with a prior calculation and relates to the observed reduction in basicity.