(2Z)-3-Hy­droxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications

Jotani, M.M.¹  Young, D.J.²  Lee, S.-L.³  Tan, A.L.³  Tiekink, E.R.T.⁴ 

[1] Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India;Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Maroochydore DC, Queensland 4558, Australia;Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link BE 1410, Negara Brunei Darussalam;Research Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia

关键词: CRYSTAL STRUCTURE;    PROPANE-1;    3-DIONE;    HYDROGEN BOND;    HIRSHFELD SURFACE;   

DOI  :  10.1107/S205698901600832X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C13H10N2O2 [also called 1-(pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione], features an almost planar (r.m.s. deviation = 0.0095 Å) central C3O2 core consolidated by an intra­molecular hy­droxy-O—H⋯O(carbon­yl) hydrogen bond. Twists are evident in the mol­ecule, as seen in the dihedral angles between the central core and the 2- and pyridin-3-yl rings of 8.91 (7) and 15.88 (6)°, respectively. The conformation about the C=C bond [1.3931 (17) Å] is Z, and the N atoms lie to the same side of the mol­ecule. In the mol­ecular packing, supra­molecular chains along the a axis are mediated by π(pyridin-2-yl)–π(pyridin-3-yl) inter­actions [inter-centroid distance = 3.7662 (9) Å]. The observation that chains pack with no directional inter­actions between them is consistent with the calculated electrostatic potential, which indicates that repulsive inter­actions dominate.

【 授权许可】

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