The crystal structure of 1-methyltriphenylene
Abstract
The crystal structure of 1-methyltriphenylene, C19H14, has been determined by application of direct methods to single-crystal X-ray diffractometric data, with refinement by least-squares to R = 0.087 over 987 independent reflections to give apparent estimated standard deviations of 0.01 Å in C – C bond lengths and 0.6° in C – C – C angles. In the methyl-substituted bay region, molecular overcrowding is relieved by a long beach bond C13 – C14 = 1.50(1) Å and a C14 – C1 – C19 bond angle of 126° to the methyl group, with the beach-arm bond angles C12 – C13 – C14 = 122° and C13 – C14 – C1 = 124° compared with about 121° in the unsubstituted bay regions. Substitution of the methyl group into nearly planar triphenylene also causes ring-carbon atoms in all three peripheral rings to deviate by as much as ± 0.3 Å from the mean molecular plane; the methyl-carbon atom is 0.8 Å below this plane. The ring-methyl C1 – C19 bond is long [1.53(1) Å]; and, in the unsubstituted rings, the peripheral bonds C6 – C7 and C10 – C11 at 1.35(1) Å and 1.36(1) Å, respectively, are slightly shorter than in triphenylene.
Articles in the same Issue
- Solid state polymerization of diacetylenes
- Solid state polymerization of diacetylenes 4*
- Solid state polymerization of diacetylenes
- Search tree method for the determination of similarity operators between arbitrary lattices
- Bond valence VS bond length and Pauling's bond strength: The Ca – O bond
- Geometrische Größen und einfache Modellrechnungen für BO4-Gruppen
- The crystal structure of 1-methyltriphenylene
- Structure cristalline de la (1R,5R)-(+)-dibenzyl-3,3 nopinone. Dichroïsme circulaire des dérivés dialkylés de la nopinone
- Neutron powder investigation of CuI*
- Single crystal structure refinement of high-pressure ZnGeO3 ilmenite
- Structural investigation of an antimony-rich pinakiolite, Mg1.90Mn0.91Sb0.19O2BO3, from Långban, Sweden
- The crystal structure of δ-yttrium pyrosilicate, δ-Y2Si2O7
- Crystal structure of mimetite, Pb5(AsO4)3Cl
- Advanced Techniques for Microstructural Characterization
- New Crystal Structures
- Crystal structure of silver pentabromodiplumbate, AgPb2Br5
- Crystal structure refinement of rubidium vanadium diphosphate, RbVP2O7
- Crystal structure of niobium pentachloride, NbCl5
- Crystal structure of copper(I) tetrachlorogallate, CuGaCl4
- Crystal structure of η5-cyclopentadienyl-di-η2-(tert.butylamine-diallyl)cobalt(II), (C5H5)CoC6H10NC(CH3)3
- Crystal structure of 8-(α-phenylethyl)-aminochinolin-palladium(II) chloride, (C9H6N)PdCl2(NH(CH3)(CH)(C6H5))
- Crystal structure refinement of decacarbonylbis(triphenylphosphine)tetrairidium, (CO)10(P(C6H5)3)2Ir4
- Crystal structure of nonacarbonyl-trimethylphosphine-dimanganese, ((CH3)3P)(CO)4Mn2(CO)5
- Crystal structure of diaqua-bis(diaminoethane)-copper bis(1-oxo-1,2-diphenyl-3,3,5-tricarbbutoxy-1,2-diphosphacyclopentanonate) bis(methanol), (H2O)2Cu(C2H8N2)2(C30H37O8P2)2(CH3OH)2
Articles in the same Issue
- Solid state polymerization of diacetylenes
- Solid state polymerization of diacetylenes 4*
- Solid state polymerization of diacetylenes
- Search tree method for the determination of similarity operators between arbitrary lattices
- Bond valence VS bond length and Pauling's bond strength: The Ca – O bond
- Geometrische Größen und einfache Modellrechnungen für BO4-Gruppen
- The crystal structure of 1-methyltriphenylene
- Structure cristalline de la (1R,5R)-(+)-dibenzyl-3,3 nopinone. Dichroïsme circulaire des dérivés dialkylés de la nopinone
- Neutron powder investigation of CuI*
- Single crystal structure refinement of high-pressure ZnGeO3 ilmenite
- Structural investigation of an antimony-rich pinakiolite, Mg1.90Mn0.91Sb0.19O2BO3, from Långban, Sweden
- The crystal structure of δ-yttrium pyrosilicate, δ-Y2Si2O7
- Crystal structure of mimetite, Pb5(AsO4)3Cl
- Advanced Techniques for Microstructural Characterization
- New Crystal Structures
- Crystal structure of silver pentabromodiplumbate, AgPb2Br5
- Crystal structure refinement of rubidium vanadium diphosphate, RbVP2O7
- Crystal structure of niobium pentachloride, NbCl5
- Crystal structure of copper(I) tetrachlorogallate, CuGaCl4
- Crystal structure of η5-cyclopentadienyl-di-η2-(tert.butylamine-diallyl)cobalt(II), (C5H5)CoC6H10NC(CH3)3
- Crystal structure of 8-(α-phenylethyl)-aminochinolin-palladium(II) chloride, (C9H6N)PdCl2(NH(CH3)(CH)(C6H5))
- Crystal structure refinement of decacarbonylbis(triphenylphosphine)tetrairidium, (CO)10(P(C6H5)3)2Ir4
- Crystal structure of nonacarbonyl-trimethylphosphine-dimanganese, ((CH3)3P)(CO)4Mn2(CO)5
- Crystal structure of diaqua-bis(diaminoethane)-copper bis(1-oxo-1,2-diphenyl-3,3,5-tricarbbutoxy-1,2-diphosphacyclopentanonate) bis(methanol), (H2O)2Cu(C2H8N2)2(C30H37O8P2)2(CH3OH)2
