Ethyl 2-amino-1-(4-fluoro­phen­yl)-5-oxo-4,5-di­hydro-1H-pyrrole-3-carboxyl­ate: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications

Jotaniya, C.¹  Socha, B.¹  Patel, U.H.²  Shah, D.A.³ 

[1] 103, X-Ray Lab, Department of Physics, V.V. Nagar, Anand, Gujarat, India;Department of Physics, V.V. Nagar, Anand, Gujarat, India;Organic Synthesis Laboratory, M. G. Science Institute, Ahmedabad, Gujarat, India

关键词: CRYSTAL STRUCTURE;    HALOGEN-SUBSTITUTED PYRROLE DERIVATIVE;    X-RAY CRYSTALLOGRAPHY;    HIRSHFELD SURFACE ANALYSIS;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989017011628

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title mol­ecule, C12H13FN2O3, the central pyrrole ring makes a dihedral angle of 9.2 (3)° with the eth­oxy carbonyl moiety whereas the fluoro­phenyl ring is rotated by 67.6 (2)° from the pyrrole ring. Supra­molecular aggregation is due to off-centric π–π stacking inter­actions involving screw-related pairs of mol­ecules, which are further connected by N—H⋯O and C—H⋯O inter­actions, forming a sinusoidal pattern along the [001] direction on the bc plane. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint plots confirm the contributions of these inter­actions.

【 授权许可】

CC BY