Hammond N, Carvalho P, Wu Y, Avery M A
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1052-3. doi: 10.1107/S1600536809011088.
The title compound, C(12)H(6)N(4)O(8), is a biphenyl system that was synthesized as a building block for a new series of anti-malarial compounds. The aromatic rings are oriented at a dihedral angle of 45.5 (2)°, and inter-molecular short O⋯O contacts form a chain along the b axis. The strength of the inter-actions involved in this chain cause one of the rings to be slightly distorted, with the torsion angle between the nitro groups being 23.4 (2)°, whereas, in the other ring, both nitro systems are parallel, forming an angle of 9.6 (2)° with the plane of the aromatic ring to which they are bound. Furthermore, the three ring C atoms around the ring-ring linkage belong to a plane inclined by 4.5 (1)° in relation to the plane containing the other three C atoms, i.e. (NO(2)-)C-C-C(NO(2)). This distortion of the ring causes uncommonly short intermolecular O⋯O [3.038 (2) Å] and O⋯C [3.000 (4) and 3.214 (1) Å] contacts.
标题化合物C(12)H(6)N(4)O(8)是一种联苯体系，它被合成作为一系列新型抗疟化合物的构建单元。芳环以45.5 (2)°的二面角取向，分子间短的O⋯O接触沿b轴形成一条链。该链中相互作用的强度导致其中一个环略有扭曲，硝基之间的扭转角为23.4 (2)°，而在另一个环中，两个硝基体系是平行的，与它们所连接的芳环平面形成9.6 (2)°的角度。此外，环 - 环连接周围的三个环碳原子所属平面相对于包含其他三个碳原子的平面（即(NO(2)-)C - C - C(NO(2))）倾斜4.5 (1)°。环的这种扭曲导致分子间O⋯O [3.038 (2) Å]和O⋯C [3.000 (4)和3.214 (1) Å]接触异常短。
