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Acta crystallographica.Section E, Structure reports online

Acta Crystallogr.Sect.E.Struct.Rep.Online

7-May

65

Pt 6

o1221

2

LR: 20130321; JID: 101089178; OID: NLM: PMC2969738; 2009/04/10 [received]; 2009/04/30 [accepted]; 2009/05/07 [epublish]; epublish

England

1600-5368; 1600-5368

PMID: 21583090

eng

Journal Article

10.1107/S1600536809016225 [doi]

Unknown(0)

21583090

The title compound, C(14)H(11)BrN(4)O(4), comprises two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule B, intra-molecular bifurcated N-Hcdots, three dots, centeredO and N-Hcdots, three dots, centeredBr hydrogen bonds and in mol-ecule A, an intra-molecular N-Hcdots, three dots, centeredO hydrogen bond generate S(6) ring motifs. The dihedral angle between the phenyl and benzene rings is 5.44 (6) in mol-ecule A and 7.63 (6) degrees in mol-ecule B. The ortho- and meta-nitro substituents make dihedral angles of 6.67 (15) and 2.26 (15) degrees to the attached benzene ring in mol-ecule A and 6.37 (17) and 5.81 (16) degrees in mol-ecule B. The Br atom in mol-ecule B is disordered over two positions with a refined site-occupancy ratio of 0.61 (3):0.39 (3). Inter-esting features of the crystal structure are the short Brcdots, three dots, centeredN [3.257 (3)-3.294 (4) A], Brcdots, three dots, centeredO [3.279 (3)-3.307 (4) A] and Ocdots, three dots, centeredO [2.9319 (16)-2.9995 (16) A] contacts, which are shorter than the sum of the van der Waals radii of these atoms. The crystal structure is further stabilized by inter-molecular C-Hcdots, three dots, centeredO and pi-pi inter-actions [centroid-centroid distances = 3.6643 (8)-3.8514 (8) A].

Salhin,A., Abdul Razak,N., Rahman,I. A.

School of Chemical Sciences, Universiti Sains Malaysia, USM, Penang, 11800, Malaysia.

20090507

PMC2969738

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=21583090

2009