1-(4-Bromophenyl)-3-butanoylthiourea

In the title compound, C11H13BrN2OS, there are two independent molecules (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 (molecule A) and 80.3 (0)° (molecule B). The butanamide group in molecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (molecule A) and 80.3 (0)° (molecule B) from the respective benzene ring. A strong intramolecular N—H⋯O hydrogen bond occurs in each molecule. The crystal packing is stabilized by weak intermolecular N—H⋯O and N—H⋯S hydrogen-bond interactions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

[1]  M. Bhatti,et al.  Ethyl 4-(3-butyrylthioureido)benzoate , 2008, Acta crystallographica. Section E, Structure reports online.

[2]  You‐Ming Zhang,et al.  AN EFFICIENT SYNTHESIS OF POLYMETHYLENE-BIS-AROYL THIOUREA DERIVATIVES UNDER THE CONDITION OF PHASE-TRANSFER CATALYSIS , 2004 .

[3]  G. Sheldrick.  A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[4]  G. G. Stokes.  "J." , 1890, The New Yale Book of Quotations.

[5]  Sohail Saeed,et al.  1-(4-Bromophenyl)-1-(4-nitrobenzoyl)thiourea , 2009, Acta crystallographica. Section E, Structure reports online.

[6]  Anthony L. Spek,et al.  Structure validation in chemical crystallography , 2009, Acta crystallographica. Section D, Biological crystallography.

[7]  Olga Kennard,et al.  Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds , 1987 .

[8]  Peter G. Jones,et al.  1-(4-Acetylphenyl)-3-butyrylthiourea , 2008, Acta crystallographica. Section E, Structure reports online.