Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 7 (July 2013)


organic compounds



yf3035 scheme

Acta Cryst. (2013). C69, 770-773    [ doi:10.1107/S0108270113014777 ]

Hydrogen-bonded dimers in 3-amino-4-anilino-1H-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1H-isochromen-1-one

D. E. Vicentes, R. Rodríguez, J. Cobo and C. Glidewell

Abstract: The molecules of 3-amino-4-anilino-1H-isochromen-1-one, C15H12N2O2, (I), and 3-amino-4-[methyl(phenyl)amino]-1H-isochromen-1-one, C16H14N2O2, (II), adopt very similar conformations, with the substituted amino group PhNR, where R = H in (I) and R = Me in (II), almost orthogonal to the adjacent heterocyclic ring. The molecules of (I) are linked into cyclic centrosymmetric dimers by pairs of N-H...O hydrogen bonds, while those of (II) are linked into complex sheets by a combination of one three-centre N-H...(O)2 hydrogen bond, one two-centre C-H...O hydrogen bond and two C-H...[pi](arene) hydrogen bonds.

Formula: C15H12N2O2 and C16H14N2O2


hkldisplay filedownload file

Structure factor file (CIF format) (134.3 kbytes)
[ doi:10.1107/S0108270113014777/yf3035Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (146.6 kbytes)
[ doi:10.1107/S0108270113014777/yf3035IIsup3.hkl ]
Contains datablock II


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