A STUDY OF CRYSTAL STRUCTURES OF ORGANYL-TRIPHENYLPHOSPHONIUM 2,4-DINITROBENZENE SULPHONATES [Ph3PR][OSO2C6H3(NO2)2-2,4], R = CH2OMe, CH2CN, CH2CH = CHCH2PPh3

• Published in: Journal of structural chemistry Vol. 63; no. 10; pp. 1629 - 1638
• Main Authors: Sharutin, V. V., Sharutina, O. K., Mekhanoshina, E. S.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-10-2022; Springer Nature B.V
• Subjects: Angles (geometry); Anions; Atomic; Atomic/Molecular Structure and Spectra; Bonding; Cations; Chemistry; Chemistry and Materials Science; Crystal structure; Halides; Inorganic Chemistry; Molecular; Nitrogen dioxide; Optical and Plasma Physics; Physical Chemistry; Solid State Physics; synthesis; molecular structure; 2,4-dinitrobenzenesulfonic acid; organyltriphenylphosphonium halide; organyltriphenylphosphonium 2,4-dinitrobenzenesulfonates; X-ray diffraction analysis
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1134/S0022476622100092

Ionic organyl-triphenylphosphonium 2,4-dinitrobenzenesulfonates [Ph
3
P
R
][OSO
2
C
6
H
3
(NO
2
)
2
-2,4],
R
 = CH
2
OMe (
1
), CH
2
CN (
2
), CH
2
CH = CHCH
2
PPh
3
(
3
) are prepared by the reaction of organyl-triphenylphosphonium halides with 2,4-dinitrobenzenesulfonic acid in water and are structurally characterized. According to the XRD data, the phosphorus atoms in cations
1
-
3
have a distorted tetrahedral coordination, the sulfonate anions have a usual geometry with a sulfur atom in a tetrahedral environment. The lengths of P–C bonds vary within 1.742(2)-1.872(2) Å; the CPC bond angles fall within 104.92(6)-113.43(11)°. In the arenesulfonate anions of the complexes, the S–C distances are close to each other (1.743(2)-1.806(3) Å), all the S–O bonds are almost equal (1.4324(15)-1.477(2) Å). The [Ph
3
PCH
2
CH=CHCH
2
PPh
3
]
+
cations of complex
3
contain second-order rotation-reflection axes passing through the centers of the C=C double bonds (point group
C
2
h
). The structures of
1
,
3
contain short C
Ar
⋯H(Ph) contacts (CH⋯π interactions) (2.829 Å (
1
), 2.769 Å (
3
)). The structures of
1
-
3
are mainly determined by weak intermolecular O⋯H contacts 2.30-2.61 Å (
1
), 2.23-2.68 Å (
2
), 2.35-2.69 Å (
3
).