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(2Z)-3-(4-Chloro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.

ABSTRACT: With the exception of the terminal benzene rings, the atoms in the title compound, C(20)H(18)ClN(3)O(2), are approximately coplanar (r.m.s. deviation = 0.0495?Å). The benzene/chloro-benzene rings form dihedral angles of 3.02?(4) and 41.59?(5)°, respectively, with this plane. The hy-droxy, amino and carbonyl groups all lie to the same side of the mol-ecule, enabling the formation of intra-molecular O-H?O and N-H?O hydrogen bonds that close S(6) rings. The configuration about the 2-butene bond is Z. Supra-molecular chains mediated by C-H?Cl inter-actions and aligned along the c axis are found in the crystal packing. These assemble into layers that are connected by weak ?-? inter-actions between centrosymmetrically related chloro-benzene rings [3.8156?(9)?Å].

SUBMITTER: Asiri AM 

PROVIDER: S-EPMC3213593 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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(2Z)-3-(4-Chloro-anilino)-1-(5-hy-droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one.

Asiri Abdullah M AM   Al-Youbi Abdulrahman O AO   Alamry Khalid A KA   Faidallah Hassan M HM   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

With the exception of the terminal benzene rings, the atoms in the title compound, C(20)H(18)ClN(3)O(2), are approximately coplanar (r.m.s. deviation = 0.0495 Å). The benzene/chloro-benzene rings form dihedral angles of 3.02 (4) and 41.59 (5)°, respectively, with this plane. The hy-droxy, amino and carbonyl groups all lie to the same side of the mol-ecule, enabling the formation of intra-molecular O-H⋯O and N-H⋯O hydrogen bonds that close S(6) rings. The configuration about the 2-butene bond is  ...[more]

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