Khan Salman Tariq, Yu Peng, Nelofar Aisha, Ahmed Zaheer, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1125-6. doi: 10.1107/S160053681101261X. Epub 2011 Apr 13.
In the title compound, C(14)H(16)N(2)O(4)S, the eth-oxy-carbonyl group is nearly planar, with an r.m.s. deviation of 0.0067 Å, and is almost coplanar with the pyrrole ring [dihedral angle = 5.81 (15)°], whereas it is inclined at a dihedral angle of 61.90 (13)° to the phenyl ring. The dihedral angle between the pyrrole and phenyl rings is 56.15 (13)°. In the crystal, centrosymmetrically related mol-ecules are linked into dimers by pairs of N-H⋯O hydrogen bonds, forming rings of R(2) (2)(10) graph-set motif. The dimers are further connected by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming layers parallel to the bc plane.
在标题化合物C(14)H(16)N(2)O(4)S中，乙氧羰基基团近乎平面，均方根偏差为0.0067 Å，且几乎与吡咯环共平面[二面角 = 5.81 (15)°]，而它与苯环的二面角为61.90 (13)°。吡咯环与苯环之间的二面角为56.15 (13)°。在晶体中，中心对称相关的分子通过N—H⋯O氢键对连接成二聚体，形成R(2) (2)(10) 图集 motif环。二聚体通过弱的分子间C—H⋯O氢键和C—H⋯π相互作用进一步连接，形成平行于bc平面的层。
