Synthesis, Characterization, Theoretical Crystal Structure, and Antibacterial Activities of Some Transition Metal Complexes of the Thiosemicarbazone (Z)-2-(pyrrolidin-2-ylidene)hydrazinecarbothioamide

Table 4

Bond angles of the ligand.

Angle	Actual	Optimal	Angle	Actual	Optimal
H(20)–C(10)–H(19)	108.0742	109.4000	C(7)–C(8)–H(15)	110.1767	109.4100
H(20)–C(10)–C(9)	110.8390	109.4100	C(7)–C(8)–C(9)	105.3224	109.5000
H(20)–C(10)–N(6)	107.3801		N(1)–C(7)–C(8)	128.1179	115.1000
H(19)–C(10)–C(9)	110.4255	109.4100	N(1)–C(7)–N(6)	121.7403	126.0000
H(19)–C(10)–N(6)	111.8302		C(8)–C(7)–N(6)	110.0955	125.3000
C(9)–C(10)–N(6)	108.2648		C(10)–N(6)–H(14)	115.3567
H(18)–C(9)–H(17)	108.0210	109.4000	C(7)–N(6)–H(14)	116.0931	118.0000
H(18)–C(9)–C(10)	110.5216	109.4100	C(7)–N(6)–C(10)	109.1525
H(18)–C(9)–C(8)	111.1762	109.4100	H(12)–N(5)–H(13)	119.3842	118.8000
C(10)–C(9)–H(17)	110.4261	109.4100	C(3)–N(5)–H(13)	123.4115
H(17)–C(9)–C(8)	110.9742	109.4100	H(12)–N(5)–C(3)	117.1111
C(10)–C(9)–C(8)	105.7415	109.5000	N(5)–C(3)–S(4)	122.0027	124.3000
H(15)–C(8)–H(16)	108.4617	109.4000	N(2)–C(3)–N(5)	120.9560	120.0000
C(9)–C(8)–H(16)	111.3872	109.4100	N(2)–C(3)–S(4)	116.9829	124.3000
C(7)–C(8)–H(16)	110.1951	109.4100	C(3)–N(2)–H(11)	112.0942	117.4000
C(9)–C(8)–H(15)	111.2857	109.4100	N(1)–N(2)–H(11)	120.3309
C(10)–C(9)–H(17)	110.4261	109.4100	N(1)–N(2)–C(3)	122.2156