Bioinorganic Chemistry and Applications / 2011 / Article / Tab 4

Research Article

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.

AngleActualOptimalAngleActualOptimal

H(20)–C(10)–H(19)108.0742109.4000C(7)C(8)H(15)110.1767109.4100
H(20)–C(10)–C(9)110.8390109.4100C(7)C(8)C(9)105.3224109.5000
H(20)–C(10)–N(6)107.3801N(1)C(7)C(8)128.1179115.1000
H(19)–C(10)–C(9)110.4255109.4100N(1)C(7)N(6)121.7403126.0000
H(19)–C(10)–N(6)111.8302C(8)C(7)N(6)110.0955125.3000
C(9)–C(10)–N(6)108.2648C(10)N(6)H(14)115.3567
H(18)–C(9)–H(17)108.0210109.4000C(7)N(6)H(14)116.0931118.0000
H(18)–C(9)–C(10)110.5216109.4100C(7)N(6)C(10)109.1525
H(18)–C(9)–C(8)111.1762109.4100H(12)N(5)H(13)119.3842118.8000
C(10)–C(9)–H(17)110.4261109.4100C(3)N(5)H(13)123.4115
H(17)–C(9)–C(8)110.9742109.4100H(12)N(5)C(3)117.1111
C(10)–C(9)–C(8)105.7415109.5000N(5)C(3)S(4)122.0027124.3000
H(15)–C(8)–H(16)108.4617109.4000N(2)C(3)N(5)120.9560120.0000
C(9)–C(8)–H(16)111.3872109.4100N(2)C(3)S(4)116.9829124.3000
C(7)–C(8)–H(16)110.1951109.4100C(3)N(2)H(11)112.0942117.4000
C(9)–C(8)–H(15)111.2857109.4100N(1)N(2)H(11)120.3309
C(10)–C(9)–H(17)110.4261109.4100N(1)N(2)C(3)122.2156

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