Bindya S, Chidan Kumar C S, Naveen S, Siddaraju B P, Quah Ching Kheng, Raihan Md Abu
Department of Chemistry, Sri Jayachamarajendra College of Engineering, JSS Science and Technology University, Mysuru 570 006, Karnataka, India.
Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahally, Mysuru 570 028, India.
Acta Crystallogr E Crystallogr Commun. 2019 Jan 25;75(Pt 2):264-267. doi: 10.1107/S205698901900104X. eCollection 2019 Feb 1.
In the title chalcone derivative, CHBrClO, the aryl rings are inclined to each by 14.49 (17)°, and the configuration about the C=C bond is . There is a short intra-molecular C-H⋯Cl contact present resulting in the formation of an (6) ring motif. In the crystal, the shortest inter-molecular contacts are Cl⋯O contacts [3.173 (3) Å] that link the mol-ecules to form a 2 helix propagating along the -axis direction. The helices stack up the short crystallographic axis, and are linked by offset π-π inter-actions [inter-centroid distance = 3.983 (1) Å], forming layers lying parallel to the plane. A qu-anti-fication of the inter-molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots.
在标题查尔酮衍生物CHBrClO中，芳环彼此倾斜14.49 (17)°，且C=C键的构型为 。存在一个短的分子内C-H⋯Cl接触，导致形成一个(6)环基序。在晶体中，最短的分子间接触是Cl⋯O接触[3.173 (3) Å]，这些接触将分子连接起来形成一个沿 轴方向传播的2螺旋。这些螺旋沿短的晶体 轴堆叠，并通过偏移π-π相互作用[质心间距 = 3.983 (1) Å]相连，形成平行于 平面的层。使用 Hirshfeld表面分析和二维指纹图谱对晶体中的分子间接触进行了量化。
