Nesterov Vladimir N, Zakharov Lev N, Sarkisov Sergey S, Curley Michael J, Urbas Augustine
Department of Natural Sciences, New Mexico Highlands University, Las Vegas, NM 87701, USA.
Acta Crystallogr C. 2008 Feb;64(Pt 2):o73-5. doi: 10.1107/S0108270107067741. Epub 2008 Jan 22.
The structures of the title compounds, C(28)H(33)N(3)O, (I), and C(26)H(27)NO(3), (II), together with their two-photon absorption properties and fluorescence activities are reported. Molecules of (II) reside on crystallographic mirror planes containing the piperidone C=O group and N-methyl H atoms. Because of the conjugation between the donor and acceptor parts, the central heterocycle in both (I) and (II) exhibits a flattened boat conformation, with deviations of the N atom and the opposite C atom from the planar fragment. The dihedral angles between the coplanar heterocyclic atoms and terminal C(6) rings are less than 20 degrees in both (I) and (II). In (I), the N-methyl group of the ring occupies an equatorial position, but in (II) it is positioned in an axial site. In the crystal structure of (I), weak intermolecular C-H...pi(arene) and C-H...O steric contacts link the molecules along the a axis. In the crystal structure of (II), molecules form stacks along the b axis.
报道了标题化合物C(28)H(33)N(3)O（I）和C(26)H(27)NO(3)（II）的结构及其双光子吸收性质和荧光活性。（II）的分子位于包含哌啶酮C=O基团和N-甲基H原子的晶体学镜面平面上。由于供体和受体部分之间的共轭作用，（I）和（II）中的中心杂环均呈现扁平船型构象，N原子和相对的C原子偏离平面片段。（I）和（II）中，共面杂环原子与末端C(6)环之间的二面角均小于20度。在（I）中，环上的N-甲基基团占据赤道位置，但在（II）中它位于轴向位置。在（I）的晶体结构中，弱的分子间C-H...π(芳烃)和C-H...O空间接触沿a轴连接分子。在（II）的晶体结构中，分子沿b轴形成堆积。
