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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.


Inter­molecular C—H⋯S inter­actions in (1). [Symmetry codes: (i) x + , −y + , −z + 1; (ii) x, −y + , z + .]
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fig5: Inter­molecular C—H⋯S inter­actions in (1). [Symmetry codes: (i) x + , −y + , −z + 1; (ii) x, −y + , z + .]

Mentions: The inter­molecular features of (1) and (2) reveal additional differences between these seemingly similar structures. In the crystal of (1), most notably there are three unique inter­molecular C—H⋯S inter­actions (Table 1 ▶) shorter than the sum of the van der Waals radii. Each mol­ecule participates as a C—H donor with two different S2 acceptors as well as one S1 acceptor (Table 1 ▶ and Fig. 5 ▶). As such, each mol­ecule is involved in C—H⋯S inter­molecular inter­actions with three other unique mol­ecules. In the crystal of (2), no analogous C—H⋯Se inter­molecular inter­actions are present.


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)

Inter­molecular C—H⋯S inter­actions in (1). [Symmetry codes: (i) x + , −y + , −z + 1; (ii) x, −y + , z + .]
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig5: Inter­molecular C—H⋯S inter­actions in (1). [Symmetry codes: (i) x + , −y + , −z + 1; (ii) x, −y + , z + .]
Mentions: The inter­molecular features of (1) and (2) reveal additional differences between these seemingly similar structures. In the crystal of (1), most notably there are three unique inter­molecular C—H⋯S inter­actions (Table 1 ▶) shorter than the sum of the van der Waals radii. Each mol­ecule participates as a C—H donor with two different S2 acceptors as well as one S1 acceptor (Table 1 ▶ and Fig. 5 ▶). As such, each mol­ecule is involved in C—H⋯S inter­molecular inter­actions with three other unique mol­ecules. In the crystal of (2), no analogous C—H⋯Se inter­molecular inter­actions are present.

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.