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Crystal structure of dimethomorph.

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

Bottom Line: In the title compound, C21H22ClNO4 [systematic name: (E)-3-(4-chloro-phen-yl)-3-(3,4-di-meth-oxy-phen-yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro-phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively.In the crystal, molecules are linked via C-H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure.

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Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

ABSTRACT
In the title compound, C21H22ClNO4 [systematic name: (E)-3-(4-chloro-phen-yl)-3-(3,4-di-meth-oxy-phen-yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro-phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linked via C-H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure.

No MeSH data available.


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Crystal packing viewed along the a axis. The intermolecular interactions are shown as dashed lines.
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Fap2: Crystal packing viewed along the a axis. The intermolecular interactions are shown as dashed lines.


Crystal structure of dimethomorph.

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

Crystal packing viewed along the a axis. The intermolecular interactions are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555370&req=5

Fap2: Crystal packing viewed along the a axis. The intermolecular interactions are shown as dashed lines.
Bottom Line: In the title compound, C21H22ClNO4 [systematic name: (E)-3-(4-chloro-phen-yl)-3-(3,4-di-meth-oxy-phen-yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro-phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively.In the crystal, molecules are linked via C-H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

ABSTRACT
In the title compound, C21H22ClNO4 [systematic name: (E)-3-(4-chloro-phen-yl)-3-(3,4-di-meth-oxy-phen-yl)-1-(morpholin-4-yl)prop-2-en-1-one], which is the morpholine fungicide dimethomorph, the dihedral angles between the mean planes of the central chloro-phenyl and the terminal benzene and morpholine (r.m.s. deviation = 0.2233 Å) rings are 71.74 (6) and 63.65 (7)°, respectively. In the crystal, molecules are linked via C-H⋯O hydrogen bonds and weak Cl⋯π interactions [3.8539 (11) Å], forming a three-dimensional structure.

No MeSH data available.


Related in: MedlinePlus