Turgut Cin Günseli, Demirel Seda, Karadayı Nevzat, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 5;64(Pt 4):m514-5. doi: 10.1107/S1600536808004236.
In the title compound, [Fe(C(5)H(5))(C(16)H(14)N(3)O(3))], the pyrazoline ring and the substituted cyclo-penta-dienyl ring are nearly coplanar, with a dihedral angle of 8.17 (2)°, while the nitro-substituted benzene ring is twisted out of the pyrazoline ring plane by 70.76 (1)°. The mol-ecules in the crystal structure are held together by three inter-molecular C-H⋯O hydrogen bonds. There is also an intra-molecular C-H⋯N hydrogen bond. The H atoms of the methyl group are disordered equally over two positions.
在标题化合物[Fe(C₅H₅)(C₁₆H₁₄N₃O₃)]中,吡唑啉环和取代的环戊二烯基环几乎共面,二面角为8.17 (2)°,而硝基取代的苯环与吡唑啉环平面扭转了70.76 (1)°。晶体结构中的分子通过三个分子间C—H⋯O氢键结合在一起。还存在一个分子内C—H⋯N氢键。甲基的H原子在两个位置上无序分布,占有率相等。