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2-Bromo-3-phenyl-1-(3-phenyl-sydnon-4-yl)prop-2-en-1-one.

ABSTRACT: THE TITLE SYDNONE DERIVATIVE [SYSTEMATIC NAME: 2-bromo-1-(5-oxido-3-phenyl-1,2,3-oxadiazo-lium-4-yl)-3-phenyl-prop-2-en-1-one], C(17)H(11)BrN(2)O(3), exists in a Z configuration with respect to the acyclic C=C bond. An intra-molecular C-H?Br hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The 1,2,3-oxadiazole ring in the sydnone unit is essentially planar [maximum deviation = 0.011?(2)?Å] and forms dihedral angles of 55.39?(13) and 57.12?(12)° with the two benzene rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link mol-ecules into two-mol-ecule-thick arrays parallel to the bc plane. The crystal structure also features a short inter-molecular N?C contacts [3.030?(3)?Å] as well as C-H?? and ?-? inter-actions [centroid-centroid distances = 3.3798?(11) and 3.2403?(12)?Å].

SUBMITTER: Goh JH 

PROVIDER: S-EPMC2979081 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2-Bromo-3-phenyl-1-(3-phenyl-sydnon-4-yl)prop-2-en-1-one.

Goh Jia Hao JH   Fun Hoong-Kun HK   Nithinchandra   Kalluraya B B  

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

THE TITLE SYDNONE DERIVATIVE [SYSTEMATIC NAME: 2-bromo-1-(5-oxido-3-phenyl-1,2,3-oxadiazo-lium-4-yl)-3-phenyl-prop-2-en-1-one], C(17)H(11)BrN(2)O(3), exists in a Z configuration with respect to the acyclic C=C bond. An intra-molecular C-H⋯Br hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The 1,2,3-oxadiazole ring in the sydnone unit is essentially planar [maximum deviation = 0.011 (2) Å] and forms dihedral angles of 55.39 (13) and 57.12 (12)° with the two benzene ring  ...[more]