2-(3-Bromo-5-nitro-1H-indazol-1-yl)-1-phenylethanone

IUCrData

Mohammed Benchidmi¹  Mohammed Boulhaoua¹  El Mokhtar Essassi¹  Mohamed Saadi²  Lahcen El Ammari² 

[1] Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco;Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco;

关键词: crystal structure;    3-bromo-5-nitro-1H-indazole;    phenylethanone;    heterocyclic system;    hydrogen bonding;    π–π interactions;    Br...O interactions;   

DOI  :  10.1107/S2414314617005594

来源: DOAJ

【 摘 要 】

The 5-nitro-1H-indazol-1-yl moiety of the title compound, C15H10BrN3O3, is approximately planar, with the largest deviation from the mean plane being 0.079 (3) Å. The fused-ring system is virtually perpendicular to the mean plane through the 1-phenylethanone group, making a dihedral angle of 89.7 (2)°. In the crystal, pairs of molecules form inversion dimers via Br...O interactions [3.211 (2) Å]. The dimers are connected by C—H...O and C—H...N non-classical hydrogen bonds, in addition to π–π interactions [intercentroid distance = 3.6411 (12) Å], forming a three-dimensional network.

【 授权许可】

Unknown