4'-Nitrophenyl 4-octyloxybenzoate (NPOB)

Kaiser, J.; Richter, R; Lemke, Georg; Golič, L.

doi:10.1107/s0567740880002841

Cited by 31 publications

(3 citation statements)

References 3 publications

(3 reference statements)

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“…In 4-cyanophenyl-4 0 -heptylbenzoate [14], where the two phenyl rings are linked by the spacer carboxylate group, the observed dihedral angle is 47.5 . Similar values are found in other phenyl benzoates [26][27][28], though coplanar benzene rings along with the carboxylate group has also been reported [29].…”

Section: Resultssupporting

confidence: 81%

Structural Analysis by X-Ray Diffraction of a Polar Mesogen 4-Cyanobiphenyl-4′-heptylbiphenyl Carboxylate

Haldar

Mandal

Prathap

et al. 2009

Molecular Crystals and Liquid Crystals

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Crystal and molecular structure of a compound 4-cyanobiphenyl-4 0 -heptylbiphenyl carboxylate (7CBB), which exhibit both monolayer smectic A and nematic phases, have been determined by direct methods using single crystal X-ray diffraction data. The structure is monoclinic with the space group P2 1 =c and Z ¼ 4. The unit cell parameters are a ¼ 16.9550(5) Å , b ¼ 5.5912(18) Å , c ¼ 27.5390(9) Å , a ¼ 90.000 , b ¼ 93.986(6) , and c ¼ 90.000 . Packing of the molecules is found to be precursor to SmC phase, although SmA 1 phase is observed on melting. Several strong van der Waals interactions are observed in the core part of the neighboring molecular pairs. Crystal to mesophase transition is probably of reconstitutive nature. Geometry, packing, and nature of crystal-mesophase transition are compared to those in 6CBB.

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Section: Resultssupporting

confidence: 81%

Structural Analysis by X-Ray Diffraction of a Polar Mesogen 4-Cyanobiphenyl-4′-heptylbiphenyl Carboxylate

Haldar

Mandal

Prathap

et al. 2009

Molecular Crystals and Liquid Crystals

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“…25 The angle between the (octyloxy)phenyl ring and the ester linkage is 2°. 26 Fyfe et al5 reported the solid-state spectra of poly(p-hydroxybenzoate), in which the carbons ortho to carboxyl group split by 3.4 ppm and attributed the splitting to the torsional angles of the aromatic rings about the ester linkages. English15 assigned the resonances at 127.7 and 130.3 ppm in the solid-state spectra of poly(p-phenyleneterephthalamide) to the ortho carbons of the terephthalic acid unit and ascribed the nonequivalency to the torsional angles between the aromatic rings and the amide linkages.…”

Section: Resultsmentioning

confidence: 99%

Solid-state CP/MAS carbon-13 NMR study of thermotropic aromatic polyester containing a flexible spacer in the main chain

Uryu¹,

Kato²

1988

Macromolecules

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The solid-state structure of a thermotropic aromatic polyester containing an aliphatic flexible spacer based on terephthalic acid and 4,4'-dihydoxy-1,6-diphenoxyhexane has been investigated by highresolution solid-state CP/MAS (cross polarization/magic angle spinning) 13C NMR. Samples of the polymer with different thermal histories, i.e., an original sample as obtained by low-temperature solution polymerization and once-melted samples with different cooling conditions, have been prepared in order to study the effect of the thermal history on the solid-state structure of the polymer. For the original sample, the solid-state spectrum shows that a conformation of the hexamethylene spacer is all-trans in the plane of the phenoxy group and that the ester linkage is nearly perpendicular to the plane of the aromatic ring. For the once-melted sample, it has been found that the conformations of the hexamethylene spacer and the ether linkage are a function of thermal histmy but that no appreciable change takes place about the ester linkage. The thermotropic aromatic ester compound bis(4-butoxyphenyl) terephthalate has also been characterized by solid-state and solution NMR. The conformation of the model compound is similar to that of the original sample of the polyester.

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“…The planarity of the alkoxy chain (the maximum deviation from the mean plane is equal to 0.1 S Â) and its approximate coplanarity with the p-phenylene group (the dihedral angle of 17°) is observed also in the molecule of 4-nitrophenyl-4-(7V-octyloxy)benzoate (I) (Kaiser et al, 1980). At the same time in the molecule of />-(n-butoxy)benzoic acid (II) the alkoxy and /»-phenylene groups are not coplanar (the dihedral angle 62.5°) (Bryan and Fallon, 1975).…”

Section: Geometry Of the Dab-6 Moleculementioning

confidence: 97%

The solid state polymerization of diacetylenes

Shklover¹,

Struchkov²

1985

Zeitschrift Für Kristallographie - Crystalline Materials

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An X-ray study of 2,4-hexadiyne-l,6-di(p-n-hexyloxy)benzoate was carried out (R = 0.060 for 3223 reflections). The molecule has a skew conformation with the pseudotorsion angle relative to the linear diacetylene moiety equal to -110.0(9)°. The non-ability to polymerization in solid state of the studied diacetylene is explained on the basis of crystal chemistry criteria. Cell parameters of two nearest homologues of the studied compound are determined (for one of them on a polymeric state).

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4'-Nitrophenyl 4-octyloxybenzoate (NPOB)

Cited by 31 publications

References 3 publications

Structural Analysis by X-Ray Diffraction of a Polar Mesogen 4-Cyanobiphenyl-4′-heptylbiphenyl Carboxylate

Structural Analysis by X-Ray Diffraction of a Polar Mesogen 4-Cyanobiphenyl-4′-heptylbiphenyl Carboxylate

Solid-state CP/MAS carbon-13 NMR study of thermotropic aromatic polyester containing a flexible spacer in the main chain

The solid state polymerization of diacetylenes

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