Glidewell Christopher, Low John N, Skakle Janet M S, Wardell James L
Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland.
Acta Crystallogr C. 2004 Apr;60(Pt 4):o290-2. doi: 10.1107/S010827010400513X. Epub 2004 Mar 31.
In molecules of the title compound, C(14)H(12)N(2)O(4), the conformation is dominated by an intramolecular N-H.O hydrogen bond in which one of the nitro O atoms is the acceptor. The molecules are linked by paired C-H.O hydrogen bonds [H.O = 2.41 A, C.O = 3.2990 (17) A and C-H.O = 156 degrees ] into centrosymmetric R(2)(2)(14) dimers; these dimers are linked weakly into chains of alternating R(2)(2)(14) and R(4)(4)(40) rings by a second C-H.O hydrogen bond [H.O = 2.55 A, C.O = 3.5006 (15) A and C-H.O = 162 degrees ].
在标题化合物C₁₄H₁₂N₂O₄的分子中,其构象主要由分子内N-H…O氢键主导,其中一个硝基O原子作为氢键受体。分子通过成对的C-H…O氢键[H…O = 2.41 Å,C…O = 3.2990(17) Å,C-H…O = 156°]连接成中心对称的R₂²(14)二聚体;这些二聚体通过第二个C-H…O氢键[H…O = 2.55 Å,C…O = 3.5006(15) Å,C-H…O = 162°]微弱地连接成由交替的R₂²(14)和R₄⁴(40)环组成的链。