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Structural and spectroscopic investigation of 1‐amino‐2,4‐dinitrobenzenes
Author(s) -
Remedi M. Virginia,
Buján Elba I.,
Baggio Ricardo,
Garland María Teresa
Publication year - 1998
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/(sici)1099-1395(199812)11:12<895::aid-poc79>3.0.co;2-5
Subject(s) - chemistry , triclinic crystal system , monoclinic crystal system , crystallography , molecule , crystal structure , nitro , hydrogen bond , stereochemistry , organic chemistry , alkyl
The crystal structures of 1‐pyrrolidino‐2,4‐dinitrobenzene ( 3 ) and 1‐morpholino‐2,4‐dinitrobenzene ( 4 ) were determined by single‐crystal x‐ray diffraction and the structures in solution were investigated by UV–visible spectrophotometry and 13 C and 1 H NMR spectrosccopy. Compound 4 crystallizes in the monoclinic space group P 2 1 / n with one independent molecule per asymmetric unit and 3 crystallizes in triclinic P ‐1 with three independent molecules per asymmetric unit. Rotation of the o ‐nitro group and of the amino group out of the aromatic plane was observed in both the solid state and in solution for both compounds. Copyright © 1998 John Wiley & Sons, Ltd.