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1-(4-Bromo-phen-yl)-3-butano-ylthio-urea.

Saeed S, Rashid N, Jasinski JP, Butcher RJ, Shoaib M - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The carbamothioyl group is twisted by 63.6 (6) (mol-ecule A) and 80.3 (0)° (mol-ecule B) from the respective benzene ring.A strong intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule.The crystal packing is stabilized by weak inter-molecular N-H⋯O and N-H⋯S hydrogen-bond inter-actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

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ABSTRACT
In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol-ecule A) and 80.3 (0)° (mol-ecule B). The butanamide group in mol-ecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (mol-ecule A) and 80.3 (0)° (mol-ecule B) from the respective benzene ring. A strong intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule. The crystal packing is stabilized by weak inter-molecular N-H⋯O and N-H⋯S hydrogen-bond inter-actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

No MeSH data available.


Molecular structure of C11H13BrN2OS, (A) showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lined indicate intramolecular N—H···O hydrogen bonding. Only the predominate butanamide component (0.532 (6) occupancy) is displayed.
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Fap1: Molecular structure of C11H13BrN2OS, (A) showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lined indicate intramolecular N—H···O hydrogen bonding. Only the predominate butanamide component (0.532 (6) occupancy) is displayed.


1-(4-Bromo-phen-yl)-3-butano-ylthio-urea.

Saeed S, Rashid N, Jasinski JP, Butcher RJ, Shoaib M - Acta Crystallogr Sect E Struct Rep Online (2010)

Molecular structure of C11H13BrN2OS, (A) showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lined indicate intramolecular N—H···O hydrogen bonding. Only the predominate butanamide component (0.532 (6) occupancy) is displayed.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050228&req=5

Fap1: Molecular structure of C11H13BrN2OS, (A) showing the atom labeling scheme and 50% probability displacement ellipsoids. Dashed lined indicate intramolecular N—H···O hydrogen bonding. Only the predominate butanamide component (0.532 (6) occupancy) is displayed.
Bottom Line: The carbamothioyl group is twisted by 63.6 (6) (mol-ecule A) and 80.3 (0)° (mol-ecule B) from the respective benzene ring.A strong intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule.The crystal packing is stabilized by weak inter-molecular N-H⋯O and N-H⋯S hydrogen-bond inter-actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol-ecule A) and 80.3 (0)° (mol-ecule B). The butanamide group in mol-ecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (mol-ecule A) and 80.3 (0)° (mol-ecule B) from the respective benzene ring. A strong intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule. The crystal packing is stabilized by weak inter-molecular N-H⋯O and N-H⋯S hydrogen-bond inter-actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

No MeSH data available.