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Crystal structures of bis-[2-(di-phenyl-phosphino-thio-yl)phen-yl] ether and bis-{2-[diphen-yl(selanyl-idene)phosphan-yl]phen-yl} ether.

Janzen DE, Kooyman AM, Lange KA - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis.Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively.In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.

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Affiliation: Department of Chemistry and Biochemistry, St Catherine University, St Paul, MN 55105, USA.

ABSTRACT
The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.

No MeSH data available.


Crystal packing of (2) viewed along [101] (above) and [010] (below). Color to highlight mol­ecules packing within columns.
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fig7: Crystal packing of (2) viewed along [101] (above) and [010] (below). Color to highlight mol­ecules packing within columns.

Mentions: Both structures show that several inter­molecular C—H⋯π contacts less than ca 3.0 Å are present but these are likely to play a weak role in packing inter­actions [see Table 1 ▶ for (1) and Table 2 ▶ for (2)]. Mol­ecules of (1) stack in columns parallel to [010] (Fig. 6 ▶). The intra­molecular π–π stacking inter­actions of (1) are all aligned perpendicular to the column stacking axis. Mol­ecules of (2) stack in columns parallel to [101] (Fig. 7 ▶) with intra­molecular π–π stacking perpendicular to the column stacking vector.


Crystal structures of bis-[2-(di-phenyl-phosphino-thio-yl)phen-yl] ether and bis-{2-[diphen-yl(selanyl-idene)phosphan-yl]phen-yl} ether.

Janzen DE, Kooyman AM, Lange KA - Acta Crystallogr Sect E Struct Rep Online (2014)

Crystal packing of (2) viewed along [101] (above) and [010] (below). Color to highlight mol­ecules packing within columns.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257402&req=5

fig7: Crystal packing of (2) viewed along [101] (above) and [010] (below). Color to highlight mol­ecules packing within columns.
Mentions: Both structures show that several inter­molecular C—H⋯π contacts less than ca 3.0 Å are present but these are likely to play a weak role in packing inter­actions [see Table 1 ▶ for (1) and Table 2 ▶ for (2)]. Mol­ecules of (1) stack in columns parallel to [010] (Fig. 6 ▶). The intra­molecular π–π stacking inter­actions of (1) are all aligned perpendicular to the column stacking axis. Mol­ecules of (2) stack in columns parallel to [101] (Fig. 7 ▶) with intra­molecular π–π stacking perpendicular to the column stacking vector.

Bottom Line: The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis.Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively.In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Biochemistry, St Catherine University, St Paul, MN 55105, USA.

ABSTRACT
The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.

No MeSH data available.