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Crystal structure of bis-(N-methyl-N-phenyl-amino)-tris-ulfane.

Barany G, Henley MJ, Polski LA, Schroll AL, Young VG - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The core atoms, viz. the N-S-S-S-N moiety, of the two mol-ecules superimpose well if one is inverted on the other, but the phenyl groups do not.In mol-ecule (1 a ), the two phenyl rings are inclined to one another by 86.7 (3)°, and in mol-ecule (1 b ), by 81.1 (3)°.In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming sheets lying parallel to (010).

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Affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.

ABSTRACT
The title compound, C14H16N2S3, crystallized with two independent mol-ecules [(1 a ) and (1 b )] in the asymmetric unit. Both mol-ecules display a pseudo-trans conformation. The two consecutive S-S bond lengths of the tris-ulfane unit of mol-ecule (1 a ) are 2.06 (3) and 2.08 (3) Å, and 2.08 (3) and 2.07 (2) Å for mol-ecule (1 b ). Torsion angles about each of the two S-S bonds are 86.6 (2) and 87.0 (2)° for (1 a ), and -84.6 (2) and -85.9 (2)° for (1 b ). The core atoms, viz. the N-S-S-S-N moiety, of the two mol-ecules superimpose well if one is inverted on the other, but the phenyl groups do not. Thus, the two units are essentially conformational enanti-omers. In mol-ecule (1 a ), the two phenyl rings are inclined to one another by 86.7 (3)°, and in mol-ecule (1 b ), by 81.1 (3)°. In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming sheets lying parallel to (010).

No MeSH data available.


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A view along the b axis of the crystal packing of the title compound. The dashed lines indicate the C—H⋯π inter­actions (see Table 2 ▸ for details). Only the H atoms involved in these inter­actions have been included for clarity.
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fig2: A view along the b axis of the crystal packing of the title compound. The dashed lines indicate the C—H⋯π inter­actions (see Table 2 ▸ for details). Only the H atoms involved in these inter­actions have been included for clarity.

Mentions: In the crystal of (1), mol­ecules are linked via C—H⋯π inter­actions, forming sheets lying parallel to (010) (see Table 2 ▸ and Fig. 2 ▸).


Crystal structure of bis-(N-methyl-N-phenyl-amino)-tris-ulfane.

Barany G, Henley MJ, Polski LA, Schroll AL, Young VG - Acta Crystallogr E Crystallogr Commun (2015)

A view along the b axis of the crystal packing of the title compound. The dashed lines indicate the C—H⋯π inter­actions (see Table 2 ▸ for details). Only the H atoms involved in these inter­actions have been included for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4518933&req=5

fig2: A view along the b axis of the crystal packing of the title compound. The dashed lines indicate the C—H⋯π inter­actions (see Table 2 ▸ for details). Only the H atoms involved in these inter­actions have been included for clarity.
Mentions: In the crystal of (1), mol­ecules are linked via C—H⋯π inter­actions, forming sheets lying parallel to (010) (see Table 2 ▸ and Fig. 2 ▸).

Bottom Line: The core atoms, viz. the N-S-S-S-N moiety, of the two mol-ecules superimpose well if one is inverted on the other, but the phenyl groups do not.In mol-ecule (1 a ), the two phenyl rings are inclined to one another by 86.7 (3)°, and in mol-ecule (1 b ), by 81.1 (3)°.In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming sheets lying parallel to (010).

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA.

ABSTRACT
The title compound, C14H16N2S3, crystallized with two independent mol-ecules [(1 a ) and (1 b )] in the asymmetric unit. Both mol-ecules display a pseudo-trans conformation. The two consecutive S-S bond lengths of the tris-ulfane unit of mol-ecule (1 a ) are 2.06 (3) and 2.08 (3) Å, and 2.08 (3) and 2.07 (2) Å for mol-ecule (1 b ). Torsion angles about each of the two S-S bonds are 86.6 (2) and 87.0 (2)° for (1 a ), and -84.6 (2) and -85.9 (2)° for (1 b ). The core atoms, viz. the N-S-S-S-N moiety, of the two mol-ecules superimpose well if one is inverted on the other, but the phenyl groups do not. Thus, the two units are essentially conformational enanti-omers. In mol-ecule (1 a ), the two phenyl rings are inclined to one another by 86.7 (3)°, and in mol-ecule (1 b ), by 81.1 (3)°. In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming sheets lying parallel to (010).

No MeSH data available.


Related in: MedlinePlus