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Table 1 Comparison of different geometric parameters of malononitrile analogue [32]

From: Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene)malononitrile

Parameter Calc. Exp Parameter Calc. Exp
R(1-6) 1.824 1.783 A(2-9-5) 124.0 123.6
R(1-10) 1.769 1.739 A(2-9-6) 124.9 126.2
R(2-9) 1.199 1.191 A(3-12-11) 179.1 179.4
R(3-12) 1.157 1.132 A(4-13-11) 175.2 175.1
R(4-13) 1.156 1.137 A(9-5-10) 116.8 116.7
R(5-9) 1.411 1.399 A(9-5-14) 118.8 119.1
R(5-10) 1.377 1.357 A(5-9-6) 111.1 110.2
R(5-14) 1.447 1.444 A(10-5-14) 124.4 124.2
R(6-9) 1.518 1.501 A(5-10-11) 127.9 126.9
R(10-11) 1.376 1.367 A(5-14-15) 119.3 118.9
R(11-12) 1.425 1.434 A(5-14-23) 119.3 119.0
R(11-13) 1.423 1.426 A(10-1112) 118.1 118.1
R(14-15) 1.391 1.370 A(10-1113) 126.0 126.8
R(14-23) 1.391 1.368 A(12-1113) 115.9 115.0
R(15-17) 1.391 1.384 A(15-1423) 121.4 122.1
R(17-19) 1.393 1.366 A(14-1517) 119.1 117.9
R(19-21) 1.393 1.361 A(14-2321) 119.1 119.0
R(21-23) 1.391 1.365 A(14-2324) 120.0 120.4
A(6-1-10) 92.1 92.1 A(15-1719) 120.1 120.1
A(1-6-9) 107.8 108.5 A(17-1921) 120.3 120.8
A(1-10-5) 112.1 112.3 A(19-2123) 120.1 120.1
A(1-10-11) 119.9 120.8