Limits...
Crystal structure of fenbuconazole.

Kang G, Kim J, Park H, Kim TH - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro-phen-yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth-yl)butyro-nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro-phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively.The C-C-C-C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°].The planes are linked by weak π-π inter-actions [centroid-centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 52828, Republic of Korea.

ABSTRACT
In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro-phen-yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth-yl)butyro-nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro-phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C-C-C-C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°]. In the crystal, C-H⋯N hydrogen bonds and very weak C-Cl⋯π inter-actions [Cl⋯π = 3.7892 (9) Å] link adjacent mol-ecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π-π inter-actions [centroid-centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

No MeSH data available.


Related in: MedlinePlus

The asymmetric unit of the title compound with displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4555419&req=5

Fap1: The asymmetric unit of the title compound with displacement ellipsoids drawn at the 50% probability level.


Crystal structure of fenbuconazole.

Kang G, Kim J, Park H, Kim TH - Acta Crystallogr E Crystallogr Commun (2015)

The asymmetric unit of the title compound with displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555419&req=5

Fap1: The asymmetric unit of the title compound with displacement ellipsoids drawn at the 50% probability level.
Bottom Line: In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro-phen-yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth-yl)butyro-nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro-phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively.The C-C-C-C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°].The planes are linked by weak π-π inter-actions [centroid-centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang, National University, Jinju 52828, Republic of Korea.

ABSTRACT
In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chloro-phen-yl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmeth-yl)butyro-nitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chloro-phenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C-C-C-C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°]. In the crystal, C-H⋯N hydrogen bonds and very weak C-Cl⋯π inter-actions [Cl⋯π = 3.7892 (9) Å] link adjacent mol-ecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π-π inter-actions [centroid-centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

No MeSH data available.


Related in: MedlinePlus