Azinyl sulfides - Part LXVIII - X-ray structure of 14-phenyldiquino[3,4 b;4 ',3 '-e][1,4]thiazine
(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:
https://lup.lub.lu.se/record/224912
- author
- Besnard, Céline LU ; Kloc, C ; Siegrist, Theo and Pluta, K
- organization
- publishing date
- 2005
- 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
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Polymer and Materials Chemistry (LTH) (011001041)
- id
- fb27ba66-9462-42b9-bee3-3cd96450b735 (old id 224912)
- date added to LUP
- 2016-04-01 17:10:25
- date last changed
- 2022-04-23 03:14:52
@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}}, keywords = {{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}}, doi = {{10.1007/s10870-005-6270-x}}, volume = {{35}}, year = {{2005}}, }