Limits...
Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-4,4'-bipyridyl (2/1), 4-n-propoxybenzoic acid-4,4'-bipyridyl (2/1) and 4-n-but-oxy-benzoic acid-4,4'-bipyridyl (2/1).

Tabuchi Y, Gotoh K, Ishida H - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: Struct.Chem. 49, 1137-1140], the present study shows that the space group is P21/n with Z = 4.The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming sheet, double-tape and tape structures, respectively.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Faculty of Science, Okayama University, Okayama 700-8530, Japan.

ABSTRACT
The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-4,4'-bipyridyl (2/1), namely, 2C9H10O3·C10H8N2, (I), 2C10H12O3·C10H8N2, (II) and 2C11H14O3·C10H8N2, (III), have been determined at 93 K. Although the structure of (I) has been determined in the space group P21 with Z = 4 [Lai et al. (2008 ▸). J. Struct. Chem. 49, 1137-1140], the present study shows that the space group is P21/n with Z = 4. In each crystal, the components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 unit of (I) adopts nearly pseudo-C 2 symmetry, viz. twofold rotation around an axis passing through the mid-point of the central C-C bond of 4,4'-bipyridyl, while the units of (II) and (III), except for the terminal alkyl chains, have pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming sheet, double-tape and tape structures, respectively.

No MeSH data available.


Related in: MedlinePlus

A packing diagram of compound (III) viewed along the a axis, showing a layer aggregate. H atoms not involved in the O—H⋯N hydrogen bonds (dashed lines) have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4645087&req=5

fig8: A packing diagram of compound (III) viewed along the a axis, showing a layer aggregate. H atoms not involved in the O—H⋯N hydrogen bonds (dashed lines) have been omitted.

Mentions: In the crystal of (II) and (III), the 2:1 units are linked by C—H⋯O inter­actions (Tables 2 ▸ and 3 ▸), forming a double-tape structure along the a axis (Fig. 6 ▸) and a tape structure along the b axis (Fig. 7 ▸), respectively. Between the tapes in (II) and (III) C—H⋯π inter­actions are observed (Tables 2 ▸ and 3 ▸). A packing diagram of (III) viewed along the a axis, which is approximately perpendicular to the mean plane of the 2:1 unit, is shown in Fig. 8 ▸. The units are arranged into a layer parallel to the bc plane, which leads to a smectic structure. On the other hand, no such a layer structure is observed in compounds (I) and (II), which form nematic liquid phases.


Crystal structures of three co-crystals of 4,4'-bipyridyl with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-4,4'-bipyridyl (2/1), 4-n-propoxybenzoic acid-4,4'-bipyridyl (2/1) and 4-n-but-oxy-benzoic acid-4,4'-bipyridyl (2/1).

Tabuchi Y, Gotoh K, Ishida H - Acta Crystallogr E Crystallogr Commun (2015)

A packing diagram of compound (III) viewed along the a axis, showing a layer aggregate. H atoms not involved in the O—H⋯N hydrogen bonds (dashed lines) have been omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645087&req=5

fig8: A packing diagram of compound (III) viewed along the a axis, showing a layer aggregate. H atoms not involved in the O—H⋯N hydrogen bonds (dashed lines) have been omitted.
Mentions: In the crystal of (II) and (III), the 2:1 units are linked by C—H⋯O inter­actions (Tables 2 ▸ and 3 ▸), forming a double-tape structure along the a axis (Fig. 6 ▸) and a tape structure along the b axis (Fig. 7 ▸), respectively. Between the tapes in (II) and (III) C—H⋯π inter­actions are observed (Tables 2 ▸ and 3 ▸). A packing diagram of (III) viewed along the a axis, which is approximately perpendicular to the mean plane of the 2:1 unit, is shown in Fig. 8 ▸. The units are arranged into a layer parallel to the bc plane, which leads to a smectic structure. On the other hand, no such a layer structure is observed in compounds (I) and (II), which form nematic liquid phases.

Bottom Line: Struct.Chem. 49, 1137-1140], the present study shows that the space group is P21/n with Z = 4.The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming sheet, double-tape and tape structures, respectively.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Faculty of Science, Okayama University, Okayama 700-8530, Japan.

ABSTRACT
The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-4,4'-bipyridyl (2/1), namely, 2C9H10O3·C10H8N2, (I), 2C10H12O3·C10H8N2, (II) and 2C11H14O3·C10H8N2, (III), have been determined at 93 K. Although the structure of (I) has been determined in the space group P21 with Z = 4 [Lai et al. (2008 ▸). J. Struct. Chem. 49, 1137-1140], the present study shows that the space group is P21/n with Z = 4. In each crystal, the components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 unit of (I) adopts nearly pseudo-C 2 symmetry, viz. twofold rotation around an axis passing through the mid-point of the central C-C bond of 4,4'-bipyridyl, while the units of (II) and (III), except for the terminal alkyl chains, have pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming sheet, double-tape and tape structures, respectively.

No MeSH data available.


Related in: MedlinePlus