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Ethyl 5-amino-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazole-4-carboxyl-ate.

ABSTRACT: In the title mol-ecule, C13H15N3O4S, the benzene and pyrazole rings are inclined to each other at 77.48?(3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra-molecular N-H?O and inter-molecular N-H?O(N). The inter-molecular hydrogen bonds link the mol-ecules related by translation in [100] into chains. A short distance of 3.680?(3)?Å between the centroids of benzene and pyrazole rings from neighbouring mol-ecules shows the presence of ?-? inter-actions, which link the hydrogen-bonded chains into layers parallel to the ab plane.

SUBMITTER: Elgazwy AS 

PROVIDER: S-EPMC3884399 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Ethyl 5-amino-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazole-4-carboxyl-ate.

Elgazwy Abdel-Sattar S Hamad AS   Nassar Ibrahim F IF   Jones Peter G PG  

Acta crystallographica. Section E, Structure reports online 20130803 Pt 9

In the title mol-ecule, C13H15N3O4S, the benzene and pyrazole rings are inclined to each other at 77.48 (3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra-molecular N-H⋯O and inter-molecular N-H⋯O(N). The inter-molecular hydrogen bonds link the mol-ecules related by translation in [100] into chains. A short distance of 3.680 (3) Å between the centroids of benzene and pyrazole rings from neighbouring mol-ecules shows the presence of π-π inter-actions, which link the hyd  ...[more]

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