Shin Jong Won, Kim Dae-Woong, Jeon Jae-Woo, Moon Dohyun
Daegu-Gyeongbuk Branch, Korea Institute of Science and Technology Information, 10 Exco-ro, Buk-gu, Daegu 41515, Republic of Korea.
Beamline Department, Pohang Accelerator Laboratory, 80 Jigokro-127-beongil, Nam-Gu Pohang, Gyeongbuk 37673, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2019 Jan 4;75(Pt 2):150-153. doi: 10.1107/S2056989018018352. eCollection 2019 Feb 1.
The title compound, [Cu(NO)(CHNO)], has been synthesized and characterized by synchrotron single-crystal diffraction at 100 K. The Cu ion has a distorted square-pyramidal coordination geometry with two N and one O atoms of the CHNO ligand and one nitrate anion in the equatorial plane and another nitrate anion at the axial position. The equatorial Cu-N and Cu-O bond lengths are in the range 1.9608 (14)-2.0861 (15) Å, which are shorter than the axial Cu-O bond length [2.1259 (16) Å]. In the crystal, mol-ecules are linked inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, forming a sheet structure parallel to the plane. The sheets are further linked through a face-to-face π-π inter-action [centroid-centroid distance = 3.994 (1) Å]. Weak inter-molecular C-H⋯O inter-actions are also observed in the sheet and between adjacent sheets.
标题化合物[Cu(NO)(CHNO)]已通过在100 K下的同步辐射单晶衍射进行了合成和表征。铜离子具有扭曲的四方锥配位几何结构，在赤道平面上有CHNO配体的两个氮原子和一个氧原子以及一个硝酸根阴离子，在轴向位置有另一个硝酸根阴离子。赤道平面上的Cu-N和Cu-O键长在1.9608(14)-2.0861(15) Å范围内，比轴向Cu-O键长[2.1259(16) Å]短。在晶体中，分子通过分子间的N-H⋯O和O-H⋯O氢键相连，形成平行于平面的层状结构。这些层通过面对面的π-π相互作用[质心-质心距离 = 3.994(1) Å]进一步相连。在层内和相邻层之间也观察到弱的分子间C-H⋯O相互作用。
