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Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

Wang JX, Feng C - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°].In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, People's Republic of China.

ABSTRACT
In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

View of the packing diagram of the title compound along the b axis.
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Fap2: View of the packing diagram of the title compound along the b axis.


Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

Wang JX, Feng C - Acta Crystallogr Sect E Struct Rep Online (2014)

View of the packing diagram of the title compound along the b axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257449&req=5

Fap2: View of the packing diagram of the title compound along the b axis.
Bottom Line: In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°].In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, People's Republic of China.

ABSTRACT
In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus