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2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro-phen-yl)meth-yl]malononitrile.

Zhang XY, Li XY, Wang X, Li DF, Fan XS - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3.One amino H is disordered equally over two positions.In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical and Environmental Sciences, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.

ABSTRACT
In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding.

No MeSH data available.


Molecular structure of the title compound, with labelling displacement ellipsoids drawn at the 30% probability level. The disordering of the H atoms is not shown for clarity.
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Fap1: Molecular structure of the title compound, with labelling displacement ellipsoids drawn at the 30% probability level. The disordering of the H atoms is not shown for clarity.


2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro-phen-yl)meth-yl]malononitrile.

Zhang XY, Li XY, Wang X, Li DF, Fan XS - Acta Crystallogr Sect E Struct Rep Online (2008)

Molecular structure of the title compound, with labelling displacement ellipsoids drawn at the 30% probability level. The disordering of the H atoms is not shown for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961285&req=5

Fap1: Molecular structure of the title compound, with labelling displacement ellipsoids drawn at the 30% probability level. The disordering of the H atoms is not shown for clarity.
Bottom Line: The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3.One amino H is disordered equally over two positions.In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Chemical and Environmental Sciences, Henan Key Laboratory for Environmental Pollution Control, Henan Normal University, Xinxiang, Henan 453007, People's Republic of China.

ABSTRACT
In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding.

No MeSH data available.