Synthesis, Crystal Structure, and DFT Study of Ethyl 1-(2-(Hydroxyimino)-2-phenylethyl)-3-phenyl-1H-pyrazole-5-carboxylate

Table 2

Hydrogen-bond and C-Hπ geometry (Å and °) of title .

D-HA	D-H	HA	DA	D-HA
O1-H1N3	0.849(10)	1.976(10)	2.825(2)	177(4)
C14-H14O1	0.93	2.58	3.471(3)	162.1
C17-H17O1	0.93	2.71	3.517(3)	146.3
C19-H19O3	0.93	2.61	3.287(3)	129.7
C11-H11Cg1	0.93	2.95	3.733(6)	143
Cg3Cg3	—	—	3.794(3)	0.0(3)
Cg2Cg3	—	—	4.044(2)	3.38(9)

code: (i) , , ; (ii) , , ; (iii) , , ; (iv) , , ; (v) , , . Cg is the centroid of the ring.