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1-(2-Chloro-5-nitro-phen-yl)-3-(2,2-di-methyl-propion-yl)thio-urea.

Saeed A, Khera RA, Simpson J, Stanley RG - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds.Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure.Weak π-π contacts [centroid-centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.

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ABSTRACT
With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds. Intra-molecular N-H⋯O and C-H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure. Weak π-π contacts [centroid-centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.

No MeSH data available.


Crystal packing for (I) viewed down the a axis.
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Fap3: Crystal packing for (I) viewed down the a axis.


1-(2-Chloro-5-nitro-phen-yl)-3-(2,2-di-methyl-propion-yl)thio-urea.

Saeed A, Khera RA, Simpson J, Stanley RG - Acta Crystallogr Sect E Struct Rep Online (2009)

Crystal packing for (I) viewed down the a axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977335&req=5

Fap3: Crystal packing for (I) viewed down the a axis.
Bottom Line: The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds.Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure.Weak π-π contacts [centroid-centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds. Intra-molecular N-H⋯O and C-H⋯S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure. Weak π-π contacts [centroid-centroid distances of 4.2903 (17) Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.

No MeSH data available.