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4-[2,3-Dibromo-3-(4-bromo-phen-yl)propano-yl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate.

ABSTRACT: In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole mol-ecule is disordered over two positions with a refined occupancy ratio of 0.770?(5):0.230?(5). In the major component, the 1,2,3-oxadiazo-lidine ring is essentially planar [maximum deviation = 0.017?(6)?Å] and makes dihedral angles of 22.5?(3) and 70.2?(3)° with the 4-bromo-phenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9?(11) and 84.9?(12)°. In the crystal, inter-molecular C-H?Br hydrogen bonds link the mol-ecules into ribbons along [010]. There is a short O?N contact [2.83?(3)?Å] in the minor component. In the major component, the mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond, which forms an S(6) ring motif.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3009087 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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4-[2,3-Dibromo-3-(4-bromo-phen-yl)propano-yl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate.

Fun Hoong-Kun HK Shahani Tara T Nithinchandra Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

In the title compound, C(17)H(11)Br(3)N(2)O(3), the whole mol-ecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazo-lidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromo-phenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, inter-molecular C-H⋯Br hydroge ...[more]

PMID: 21589008

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