Ethyl (3E)-3-[2-(4-bromophenylsulfonyl)hydrazin-1-ylidene]butanoate

M Nawaz Tahir,Naghmana Kausar,Shahzad Murtaza,Muhammad Zulfiqar,Aadil Abbas

doi:10.1107/s1600536812019265

M Nawaz Tahir, Naghmana Kausar + Show 3 more

Open Access

https://doi.org/10.1107/s1600536812019265

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Abstract

The asymmetric unit of title compound, C12H15BrN2O4S, contains two molecules (A and B), with slightly different conformations: the bromophenyl rings and the SO2 planes of the sulfonyl groups are oriented at dihedral angles of 50.2 (2) (molecule A) and 58.24 (7)° (molecule B), and the ethyl acetate groups make dihedral angles of 63.99 (19)° (A) and 65.35 (16)° (B) with their bromophenyl groups. In the crystal, both molecules exist as inversion dimers linked by pairs of N—H⋯O hydrogen bonds, which generate R 2 2(14) loops. The dimers are linked by C—H⋯O interactions.

Highlights

The asymmetric unit of title compound, C12H15BrN2O4S, contains two molecules (A and B), with slightly different conformations: the bromophenyl rings and the SO2 planes of the sulfonyl groups are oriented at dihedral angles of 50.2 (2)
65.35 (16) (B) with their bromophenyl groups. Both molecules exist as inversion dimers linked by pairs of N—
The dimers are linked by C—H O interactions

Summary

Bruker Kappa APEXII CCD diffractometer

R factor = 0.049; wR factor = 0.135; data-to-parameter ratio = 17.7. The asymmetric unit of title compound, C12H15BrN2O4S, contains two molecules (A and B), with slightly different conformations: the bromophenyl rings and the SO2 planes of the sulfonyl groups are oriented at dihedral angles of 50.2 (2). (molecule A) and 58.24 (7) (molecule B), and the ethyl acetate groups make dihedral angles of 63.99 (19) (A) and. 65.35 (16) (B) with their bromophenyl groups. In the crystal, both molecules exist as inversion dimers linked by pairs of N—. H O hydrogen bonds, which generate R22(14) loops. The dimers are linked by C—H O interactions. Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON

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