Zia-Ur-Rehman Muhammad, Elsegood Mark R J, Choudary Jamil Anwar, Fasih Ullah Muhammad, Siddiqui Hamid Latif
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o275-6. doi: 10.1107/S1600536809000488.
In the mol-ecule of the title compound, C(12)H(11)ClN(4)O(4), the pyrazole ring is coplanar with the amino and ethoxy-carbonyl groups within 0.026 (2) and 0.105 (2) Å, respectively. The C(6) ring of the 4-chloro-2-nitro-phenyl group is twisted by 53.58 (4)° relative to the plane of the pyrazole ring. The planar structure of the pyrazole ring is stabilized by an intra-molecular N-H⋯O hydrogen bond between its substituents. Neighbouring mol-ecules are linked through inter-molecular N-H⋯N and N-H⋯O hydrogen bonds, giving rise to one-dimensional tapes along the b axis. Mol-ecules in the chain are linked to those of an adjacent chain through weak C-H⋯O inter-actions, forming a three-dimensional network.
在标题化合物C(12)H(11)ClN(4)O(4)的分子中,吡唑环分别与氨基和乙氧羰基共平面,偏差分别为0.026 (2) Å和0.105 (2) Å。4-氯-2-硝基苯基的C(6)环相对于吡唑环平面扭转了53.58 (4)°。吡唑环的平面结构通过其取代基之间的分子内N-H⋯O氢键得以稳定。相邻分子通过分子间N-H⋯N和N-H⋯O氢键相连,沿b轴形成一维链带。链中的分子通过弱C-H⋯O相互作用与相邻链的分子相连,形成三维网络。