Acta Crystallographica Section C

Structural Chemistry

Volume 70, Part 4 (April 2014)


organic compounds



cu3047 scheme

Acta Cryst. (2014). C70, 392-395    [ doi:10.1107/S2053229614003684 ]

Cinnamic acid hydrogen bonds to isoniazid and N'-(propan-2-yl­idene)isonicotinohydrazide, an in situ reaction product of isoniazid and acetone

I. Sarcevica, L. Orola, M. V. Veidis and S. Belyakov

Abstract: A new polymorph of the cinnamic acid-isoniazid cocrystal has been prepared by slow evaporation, namely cinnamic acid-pyridine-4-carbohydrazide (1/1), C9H8O2·C6H7N3O. The crys­tal structure is characterized by a hydrogen-bonded tetra­meric arrangement of two mol­ecules of isoniazid and two of cinnamic acid. Possible modification of the hydrogen bonding was investigated by changing the hydrazide group of isoniazid via an in situ reaction with acetone and cocrystallization with cinnamic acid. In the structure of cinnamic acid-N'-(propan-2-yl­idene)isonicotinohydrazide (1/1), C9H8O2·C9H11N3O, car­box­ylic acid-pyridine O-H...N and hydrazide-hydrazide N-H...O hydrogen bonds are formed.

CCDC references: 987640 and 987641

Formula: C6H7N3O·C9H8O2 and C9H11N3O·C9H8O2

Keywords: crystal structure; cinnamic acid-isoniazid cocrystal; hydrogen bonding; modification of hydrogen bonding; pharmaceutically active compound; in situ modification.


hkldisplay filedownload file

Structure factor file (CIF format) (154.3 kbytes)
[ doi:10.1107/S2053229614003684/cu30471sup2.hkl ]
Contains datablock 1


hkldisplay filedownload file

Structure factor file (CIF format) (101.3 kbytes)
[ doi:10.1107/S2053229614003684/cu30472sup3.hkl ]
Contains datablock 2


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