Crystal structure analysis of (<Emphasis Type="Italic">N</Emphasis>-methyl piperazino) (phenyl) (dicyclohexylamino) phosphiniminocyclotrithiazene |
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Authors: | Email author" target="_blank">Srinivas?JanaswamyEmail author G?Sreenivasa?Murthy T?Mohan MN?Sudheendra?Rao |
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Institution: | (1) Whistler Center for Carbohydrate Research, Department of Food Science, Purdue University, West Lafayette, Indiana;(2) Department of Physics, Indian Institute of Technology Madras, Chennai, India;(3) Department of Chemistry, Indian Institute of Technology Madras, Chennai, India |
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Abstract: | The title compound (NC4H8NCH3)(C6H5)N(C6H11)2]P{—N–S3N3 crystallizes in the triclinic crystal system with unit cell dimensions: a = 9.7572(2), b = 10.6845(1), c = 16.9381(3) Å, = 71.75(1), = 80.65(2), = 65.93(1), and Z = 2. The tricoordinated sulfur atom (S1) in the cyclotrithiazene deviates from the mean plane of the other five atoms by 0.716(6)
Å, which is the highest among the known phosphiniminocyclotrithiazene structures. In the exocyclic P{—N4–S1 moiety, the two bond distances are short: 1.585(6) and
1.527(6) Å; but the bond angle is large 135.3(4). The S1 displacement is highly correlated with the endocyclic angle at the nitrogen atom (diagonally opposite to S1), but the nature of correlation is bimodal (R = 1.0 + or –1.0) for the cyclic and acyclic substituents (R) in the (R)(C6H5)N(C6H11)2]P{—N–S3N3 series. On the other hand, the S1–N4 bond distances are negatively correlated (R = –0.94) with the P{—N4–S1 bond angle in the above series. |
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Keywords: | cyclotrithiazene aryl phosphine crystal structure cyclic amine acyclic amine |
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