Advanced

Azinyl sulfides - Part LXVIII - X-ray structure of 14-phenyldiquino[3,4 b;4 ',3 '-e][1,4]thiazine

Besnard, Céline LU ; Kloc, C; Siegrist, Theo and Pluta, K (2005) In Journal of Chemical Crystallography 35(9). p.731-736
Abstract
The title compound 1 (C24H15N3S) crystallizes in an orthorhombic unit cell, with a = 8.2355(3), b = 19.1499(8), and c = 11.3520(5) angstrom, Z = 2, and space group Pnma. The pentacyclic ring system is folded mainly along the S-N(2) axis and slightly along the C(3)-C(4) and C(3')-C(4') axes. The butterfly folding angle between the two quinoline planes is 48.96(3)degrees and the angle between the planes of the two halves of the thiazine ring is 43.46(7)degrees. The central thiazine ring is in a boat conformation. The phenyl substituent is unexpectedly in an axial location with respect to the thiazine ring with the C-N center dot center dot center dot S angle of 114.0(1)degrees and it is perpendicular to the bisecting plane of the pentacyclic... (More)
The title compound 1 (C24H15N3S) crystallizes in an orthorhombic unit cell, with a = 8.2355(3), b = 19.1499(8), and c = 11.3520(5) angstrom, Z = 2, and space group Pnma. The pentacyclic ring system is folded mainly along the S-N(2) axis and slightly along the C(3)-C(4) and C(3')-C(4') axes. The butterfly folding angle between the two quinoline planes is 48.96(3)degrees and the angle between the planes of the two halves of the thiazine ring is 43.46(7)degrees. The central thiazine ring is in a boat conformation. The phenyl substituent is unexpectedly in an axial location with respect to the thiazine ring with the C-N center dot center dot center dot S angle of 114.0(1)degrees and it is perpendicular to the bisecting plane of the pentacyclic ring system. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
dibenzoazaphenothiazine, phenothiazine, thiazinodiquinoline, C24H15N3S, diquinothiazine, heteropentaphene
in
Journal of Chemical Crystallography
volume
35
issue
9
pages
731 - 736
publisher
Springer
external identifiers
  • wos:000231797500011
  • scopus:24644504771
ISSN
1074-1542
DOI
10.1007/s10870-005-6270-x
language
English
LU publication?
yes
id
fb27ba66-9462-42b9-bee3-3cd96450b735 (old id 224912)
date added to LUP
2007-08-02 12:05:46
date last changed
2017-07-30 04:45:55
@article{fb27ba66-9462-42b9-bee3-3cd96450b735,
  abstract     = {The title compound 1 (C24H15N3S) crystallizes in an orthorhombic unit cell, with a = 8.2355(3), b = 19.1499(8), and c = 11.3520(5) angstrom, Z = 2, and space group Pnma. The pentacyclic ring system is folded mainly along the S-N(2) axis and slightly along the C(3)-C(4) and C(3')-C(4') axes. The butterfly folding angle between the two quinoline planes is 48.96(3)degrees and the angle between the planes of the two halves of the thiazine ring is 43.46(7)degrees. The central thiazine ring is in a boat conformation. The phenyl substituent is unexpectedly in an axial location with respect to the thiazine ring with the C-N center dot center dot center dot S angle of 114.0(1)degrees and it is perpendicular to the bisecting plane of the pentacyclic ring system.},
  author       = {Besnard, Céline and Kloc, C and Siegrist, Theo and Pluta, K},
  issn         = {1074-1542},
  keyword      = {dibenzoazaphenothiazine,phenothiazine,thiazinodiquinoline,C24H15N3S,diquinothiazine,heteropentaphene},
  language     = {eng},
  number       = {9},
  pages        = {731--736},
  publisher    = {Springer},
  series       = {Journal of Chemical Crystallography},
  title        = {Azinyl sulfides - Part LXVIII - X-ray structure of 14-phenyldiquino[3,4 b;4 ',3 '-e][1,4]thiazine},
  url          = {http://dx.doi.org/10.1007/s10870-005-6270-x},
  volume       = {35},
  year         = {2005},
}