Crystal structure of mesogenic material – 4′-n-pentyl cyclohexyl-(4-n-pentyl cyclohexane)-1-carboxylate
Abstract
The compound C23O2H42 crystallizes in the triclinic space group P1 with a = 5.5478(2) Å, b = 9.7768(3) Å, c = 10.6846(2) Å, α = 96.428(3)°, β = 94.161(4)°, τ = 103.807(3)° and one molecule per unit cell. Dcalc = 1.047 Mg · m−3. The structure was solved by direct methods (SOLVER-NRCVAX1) using 1611 observed reflections [I > 2σ(I)]. It was refined by block-diagonal and full-matrix least-squares method to a final R of 0.078. The molecule is almost stretched and linear. The angle between the mean planes of the cyclohexane rings is 3.87(2)°. The packing of the molecules exhibits a strong layering as required for a smectic liquid crystalline phase – the cyclohexane groups forming one line with the extended alkyl chains penetrating into the neighbouring layers.
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Articles in the same Issue
- The modular analysis of Ca2SiO4-Ca(OH)2-Ca4Si3O10 structures
- Neue ternäre Phasen in den Systemen Seltene Erden-Lithium-Zinn
- Structure refinement of BaCl2 · D2O and SrCl2 · D2O by neutron powder diffraction
- Structure of bis(salicylato)-di(nicotinamide)copper(II)
- Synthesis and structure of Ba2LaAg5S6 and Ba2YAg5S6
- Crystal structure of mesogenic material – 2-(4′-cyano phenyl)-5-n-heptyl-l,3 dioxane
- Crystal structure of mesogenic material – 4′-n-pentyl cyclohexyl-(4-n-pentyl cyclohexane)-1-carboxylate
- The crystal structure of a mineral related to paulkerrite
- Coverage dependent adsorption sites in the K/Cu(100) system: A crystal truncation rod analysis
- Crystal structure of thulium oxide sulfide (2/2/1), Tm2O2S
- Crystal structure of thulium sulfide (5/7), Tm5S7
- Crystal structure of 3′-mercapto-7,7,7′,7′-tetramethyl-2,2′[bi]bicyclo[2.2.1]heptylidene-3-thione, C20H29S2
- Crystal structure of 3-bromo-2,6-dimethoxy-N,N-dimethylthiobenzamide, (C6H2)Br(OCH3)2CSN(CH3)2
- Crystal structure of “C2-symmetric” head-to-tail photodimer of 9-(2-hydroxy-2-propyl)anthracene, C34H32O2
- Crystal structure of centrosymmetric head-to-tail photodimer of 9-(2-hydroxy-2-propyl)anthracene, C34H32O2
- Crystal structure of pentacarbonyl-pyridine-tungsten (0), W(CO)5(NC5H5)
- Crystal structure of pentacarbonyl-4-methyl-pyridine-tungsten(0), W(CO)5(NC5H4)CH3
- Crystal structure of 4-(4-hydroxy-1-butoxy)-4′-hydroxybiphenyl (H4HBP), C16H18O3
- Crystal structure of 4-(6-hydroxy-1-hexoxy)-4′-hydroxybiphenyl (H6HBP), C18H22O3
- Crystal structure of 4,5-dichloro-5-ethyl-6-methyl-2-methoxy-2-oxo-5,6-dihydro-2H-oxaphosphorine, C8H13Cl2O3P
- Crystal structure of (tetrahydrothiophene)-trichlorogold(III), C4H8AuCl3S
- Crystal structure of p-fluorobenzene-sulphonamide, C6H6FNO2S
- Crystal structure of (diphenylsulphide)-trichlorogold(III), C12H10AuCl3S
- Crystal structure of 2-methyl-5-phenyltriazolo-[4,5-d]-triazole, C9H8N6
- Crystal structure of 4-acetyl[2.2]paracyclophane, C18H18O
- Crystal structure of 1-amino-4-(4-methoxy-phenoxy)-anthraquinone-(9,10), C21H15NO4
- Crystal structure of N-[2,2-bis(diphenylphosphino)ethyl]-N′,N′-dimethyl-1,3-propanediamine-P,P′-tetracarbonylchromium, (CO)4Cr(P(C6H5)2)2(C2H3)(NHC3H6N(CH3)2)
- Crystal structure of bis-(4,4′,5,5′-tetramethyl-thieno)[3,2-c;2′,3′-e]-1,2-dithiin, C12H12S4
- Crystal structure of bis-thieno[3,2-c;2′,3′-e]-1,2-dithiin, C8H4S4
- Crystal structure of 2,3,4,5,10,11,12,13-octamethyl-1,6,7,8,9,14,15,16-octathia-tetracyclopenta [a,c,g,i] cyclododecene, C24H24S8
- Crystal structure of (5R,1S′)-5-[1-N,N-dibenzyl-amino)ethyl]-2(3H)-4,5-dihydrofuranone, CH(CH2)2COOCHCH3NCH2(C6H5)CH2(C6H5)
- Crystal structure of (2S,1′S)-2-[1-(N,N-dibenzyl-amino)ethyl]-3(2H)-4,5-dihydrofuranone, OCH2CH2COCHCH(CH3)NCH2(C6H5)CH2(C6H5)
- Crystal structure of exo-6-methoxy-l-(4-pyridyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene, CH3O(C10H9)CH(C5H4N)
- Crystal structure of 1-(2,4-dinitrophenyl)-3-methyl-1H-cycloheptapyrazol-6-one, C15H10N4O5
Articles in the same Issue
- The modular analysis of Ca2SiO4-Ca(OH)2-Ca4Si3O10 structures
- Neue ternäre Phasen in den Systemen Seltene Erden-Lithium-Zinn
- Structure refinement of BaCl2 · D2O and SrCl2 · D2O by neutron powder diffraction
- Structure of bis(salicylato)-di(nicotinamide)copper(II)
- Synthesis and structure of Ba2LaAg5S6 and Ba2YAg5S6
- Crystal structure of mesogenic material – 2-(4′-cyano phenyl)-5-n-heptyl-l,3 dioxane
- Crystal structure of mesogenic material – 4′-n-pentyl cyclohexyl-(4-n-pentyl cyclohexane)-1-carboxylate
- The crystal structure of a mineral related to paulkerrite
- Coverage dependent adsorption sites in the K/Cu(100) system: A crystal truncation rod analysis
- Crystal structure of thulium oxide sulfide (2/2/1), Tm2O2S
- Crystal structure of thulium sulfide (5/7), Tm5S7
- Crystal structure of 3′-mercapto-7,7,7′,7′-tetramethyl-2,2′[bi]bicyclo[2.2.1]heptylidene-3-thione, C20H29S2
- Crystal structure of 3-bromo-2,6-dimethoxy-N,N-dimethylthiobenzamide, (C6H2)Br(OCH3)2CSN(CH3)2
- Crystal structure of “C2-symmetric” head-to-tail photodimer of 9-(2-hydroxy-2-propyl)anthracene, C34H32O2
- Crystal structure of centrosymmetric head-to-tail photodimer of 9-(2-hydroxy-2-propyl)anthracene, C34H32O2
- Crystal structure of pentacarbonyl-pyridine-tungsten (0), W(CO)5(NC5H5)
- Crystal structure of pentacarbonyl-4-methyl-pyridine-tungsten(0), W(CO)5(NC5H4)CH3
- Crystal structure of 4-(4-hydroxy-1-butoxy)-4′-hydroxybiphenyl (H4HBP), C16H18O3
- Crystal structure of 4-(6-hydroxy-1-hexoxy)-4′-hydroxybiphenyl (H6HBP), C18H22O3
- Crystal structure of 4,5-dichloro-5-ethyl-6-methyl-2-methoxy-2-oxo-5,6-dihydro-2H-oxaphosphorine, C8H13Cl2O3P
- Crystal structure of (tetrahydrothiophene)-trichlorogold(III), C4H8AuCl3S
- Crystal structure of p-fluorobenzene-sulphonamide, C6H6FNO2S
- Crystal structure of (diphenylsulphide)-trichlorogold(III), C12H10AuCl3S
- Crystal structure of 2-methyl-5-phenyltriazolo-[4,5-d]-triazole, C9H8N6
- Crystal structure of 4-acetyl[2.2]paracyclophane, C18H18O
- Crystal structure of 1-amino-4-(4-methoxy-phenoxy)-anthraquinone-(9,10), C21H15NO4
- Crystal structure of N-[2,2-bis(diphenylphosphino)ethyl]-N′,N′-dimethyl-1,3-propanediamine-P,P′-tetracarbonylchromium, (CO)4Cr(P(C6H5)2)2(C2H3)(NHC3H6N(CH3)2)
- Crystal structure of bis-(4,4′,5,5′-tetramethyl-thieno)[3,2-c;2′,3′-e]-1,2-dithiin, C12H12S4
- Crystal structure of bis-thieno[3,2-c;2′,3′-e]-1,2-dithiin, C8H4S4
- Crystal structure of 2,3,4,5,10,11,12,13-octamethyl-1,6,7,8,9,14,15,16-octathia-tetracyclopenta [a,c,g,i] cyclododecene, C24H24S8
- Crystal structure of (5R,1S′)-5-[1-N,N-dibenzyl-amino)ethyl]-2(3H)-4,5-dihydrofuranone, CH(CH2)2COOCHCH3NCH2(C6H5)CH2(C6H5)
- Crystal structure of (2S,1′S)-2-[1-(N,N-dibenzyl-amino)ethyl]-3(2H)-4,5-dihydrofuranone, OCH2CH2COCHCH(CH3)NCH2(C6H5)CH2(C6H5)
- Crystal structure of exo-6-methoxy-l-(4-pyridyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene, CH3O(C10H9)CH(C5H4N)
- Crystal structure of 1-(2,4-dinitrophenyl)-3-methyl-1H-cycloheptapyrazol-6-one, C15H10N4O5