S-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene
15 May 1996-Acta Crystallographica Section C-crystal Structure Communications (International Union of Crystallography)-Vol. 52, Iss: 5, pp 1250-1252
TL;DR: C4a 0.1756(6) 0.3721 (6) -0.0530 ( I I I ) 0.3182 (15)0.067 C9 0.5882 (7) 0 as discussed by the authors 0.049 C10 0.
Abstract: C4a 0.1799 (6) 0.0688 (12) 0.4029 (6) 0.031 C4 0.2133 (7) 0.1846 (12) 0.3415 (6) 0.036 C5 0.1756(6) 0.1858(12) 0.2550(6) 0.035 C6 0.0992 (6) 0.0701 (11) 0.2208 (5) 0.026 C7 0.0606 (6) -0.0530 ( I I ) 0.2801 (6) 0.029 C7a 0.1028 (7) -0.0513 (12) 0.3721 (6) 0.031 C8 0.0810 (9) -0.3182 (15) 0.6577 (7) 0.067 C9 0.2527 (7) 0.3571 (13) 0.5882 (7) 0.049 C10 0.1200 (8) 0.2245 (13) 0.0537 (6) 0.050 Cll 0.0254(8) -0.3734(13) 0.1896(7) 0.049
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TL;DR: In this paper, the tricoordinated sulfur atom (S1) in the cyclotrithiazene was shown to be 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 in the (R)(C6H5)2]P{-S3N3 series.
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) A, α = 71.75(1)∘, β = 80.65(2)∘, γ = 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) A, 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) A; 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.
4 citations
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TL;DR: The title compound (C6H5)(C4H8NO)[N(C 6H11)2]P=N-S3N3 crystallizes in a triclinic crystal system with unit cell parameters a = 9.8884(4), b = 10.6075(1) A, c = 14.2276(2), α = 78.14(3)°, β = 79.31°, λ = 65.42°, V = 1319.44°, Z = 2, and space group
Abstract: The title compound (C6H5)(C4H8NO)[N(C6H11)2]P=N-S3N3 crystallizes in a triclinic crystal system with unit cell parameters a = 9.8884(4) A, b = 10.6075(1) A, c = 14.2276(2) A, α = 78.14(3)°, β = 79.31(1)°, λ = 65.42(2)°, V = 1319.44(6) A3, Z = 2, and space group \(P\bar 1\). The cyclotrithiazene ring adopts a “distorted chair” conformation with a deviation of 0.682(7) A for the tricoordinated sulfur atom. Remarkably, a short exocyclic S-N bond length 1.489(4) A along with a large P-N-S angle 136.2(3)° are observed with the iminophosphorus moiety.
3 citations
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TL;DR: The title compound (C6H12N) as mentioned in this paper crystallizes in the monoclinic space group P21/n with unit cell dimensions: a = 9.9200(5), b = 16.3316(11), c = 15.7009(17) A, β = 91.99(1)°, and Z = 4.
Abstract: The title compound (C6H12N)Ph2P-N
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S3N3 ⋅ C7H8 crystallizes in the monoclinic space group P21/n with unit cell dimensions: a = 9.9200(5), b = 16.3316(11), c = 15.7009(17) A, β = 91.99(1)°, and Z = 4. The cyclotrithiazene ring adopts a chair conformation with equal bond distances and the norbornadiene is fused in an exo, exo fashion to the heterocycle. Norbornadiene addition to the cyclotrithiazene influences the bonding pattern in the ring as well as the P
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N
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S moiety.
2 citations