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A comparison of crystallographic and NMR data for thieno[2,3‐ b :4,5‐ b ′]dipyridine and its monohydroperchlorate salt
Author(s) -
Klemm Leroy H.,
Weakley Timothy J. R.,
Yoon Myungok,
Clegg Robert S.
Publication year - 2000
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.5570370416
Subject(s) - chemistry , salt (chemistry) , crystallography , stereochemistry
X‐ray crystallographic studies of thieno[2,3‐ b :4,5‐ b ′]dipyridine ( 1 ) and its monohydroperchlorate salt ( 1a ) show that 1 is protonated at N1 in ring A and not at N6 in ring C. In each compound individual rings are planar, but there is a small dihedral angle‐of‐twist between the A and C rings. On going from 1 to 1a the largest changes in bond angles and bond lengths occur in ring A. 1 H and l3 C nmr spectra of 1 plus the 13 C nmr spectrum of 1a are reported.