3-(3-Chloroanilino)-1-(3,5-dimethyl-1Hpyrazol-1-yl)propan-1-one

In the molecule of the title compound, C14H16ClN3O, the benzene and pyrazole rings are oriented at a dihedral angle of 3.50 (3)°. In the crystal structure, intermolecular N-H...O hydrogen bonds link the molecules into ch
In the molecule of the title compound, C14H16ClN3O, the benzene and pyrazole rings are oriented at a dihedral angle of 3.50 (3)°. In the crystal structure, intermolecular N-H...O hydrogen bonds link the molecules into chains. A [pi]-[pi] contact between the benzene and pyrazole rings [centroid-centroid distance = 3.820 (3) Å] may further stabilize the structure. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.031; wR factor = 0.086; data-to-parameter ratio = 14.1.
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Metadaten
Author:Aamer Saeed, Shahid Hussain, Michael Bolte
URN:urn:nbn:de:hebis:30-69389
Document Type:Article
Language:English
Date of Publication (online):2009/09/08
Year of first Publication:2009
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Release Date:2009/09/08
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Source:Acta Crystallographica Section E, Structure Reports Online, 2009, E65, o1231 ; doi:10.1107/S1600536809016250
HeBIS PPN:217547532
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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