The pyranoid rings are in a half-boat conformation in compound (I), C13H14ClO6P, and in a deformed half-boat-towards-half-chair conformation in compound (II), C11H12ClO4P. Fusion with the pyranoid ring has no significant influence on the planarity of the benzene ring in either compound. In both structures, the dimethoxyphosphoryl group is attached axially. The presence of the methoxycarbonyl substituent in (I) seems responsible for the disorder observed in the dimethoxyphosphoryl group.
The saturated part of the isoquinoline moiety in the title compound, C17H19NO2, has a twist conformation and the phenyl ring substituent is in an equatorial position. The absolute configuration of the molecule is R and molecules form infinite chains by means of weak hydrogen bonds.
The title molecule, C14H17ClO8P2, consists of two six-membered condensed rings, with a Cl atom at position 4 and a dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene group at position 2. Both rings are aromatic. The best planes of the two rings form a dihedral angle of 178.5(1)-degrees. The Cl atom lies 0.012(2) angstrom out of the plane defined by the ring. The molecule is the E isomer. The torsion angle O4-C3-C11-P19 is -174.2(2)-degrees.
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C28H20N4O2, M(r) = 444.49, monoclinic, C2/c, a = 19.532 (3), b = 7.858 (1), c = 14.997 (5) angstrom, beta = 98.91 (2)-degrees, V = 2274 (6) angstrom 3, Z = 4, D(m) = 1.294, D(x) = 1.298 (1) g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 5.91 cm-1, F(000) = 928, room temperature, R = 0.0377 for 1897 reflections with I greater-than-or-equal-to 3-sigma(I). The molecule contains an 18-membered heterocyclic ring which adopts a 'saddle-like' conformation with two non-linear diimino systems. A crystallographic two-fold axis passes through the centre of the ring. Two of the four benzene rings are nearly parallel to each other.
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
C12H19N3+I-, M(r) = 332.207, orthorhombic, P2(1)2(1)2(1), a = 12.235 (3), b = 14.671 (3), c = 7.723 (2) angstrom, V = 1386.28 (57) angstrom 3, Z = 4, D(x) = 1.5917 (7) g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 181.8 cm-1, F(000) = 664, diffractometer data at room temperature, R = 5.56% for 2672 reflections with I > 3-sigma(I). The benzodiazepine ring is in an envelope-type conformation, all N atoms are protonated and form hydrogen bonds with an 1- ion.
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
C24H26N2O5S2, M(r) = 486.6, monoclinic. C2, a = 27.869 (5), b = 8.374 (2), c = 23.058 (6) angstrom, beta = 119.14 (3)-degrees, V = 4700 (2) angstrom 3, Z = 8, D(x) = 1.375 (1) g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 22.54 cm-1, F(000) = 2048, room temperature, R = 0.0455 for 4141 reflections with I > 3-sigma(I). There are two different molecules in the asymmetric unit. Molecule 1 exists in a chair-like conformation; molecule 2 occurs in two forms: a chair-like and a twist-chair conformation in a ratio of 0.63:0.37, respectively.
C 28 H 26 N 2 O 5 S 2 cristallise dans P2 1 2 1 2 1 avec a=8.939, b=11.67, c=24.968A, Z=4; affinement jusqu'a R=0.0395. L'heterocycle a neuf chainons est dans une conformation chaise. Les groupes tosyl sont dans une conformation exo,exo
C28H26N2O5S2, M(r) = 534.7, orthorhombic, P2(1)2(1)2(1), a = 8.939 (1), b = 11.67 (1), c = 24.968 (2) angstrom, V = 2604.6 (6) angstrom 3, Z = 4, D(x) = 1.364 (1) g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 20.82 cm-1, F(000) = 1120, room temperature, R = 0.0395 for 3767 reflections with I > 3-sigma(I). The nine-membered heterocyclic ring is in a chair-like conformation. There is an exo, exo conformation of tosyl groups.
C 7 H 14 ClN 2 O 2 P cristallise dans P2 1 2 1 2 1 avec a=20,110, b=8,098, c=6,550 A, Z=4; affinement jusqu'a R=0,064. Le cycle oxazaphosphorinane est dans une conformation chaise, avec l'oxygene phosphoryl en position equatoriale, le groupe aziridinyl oriente axialement et le groupe endocyclique 2-chloroethyl etendu hors du cycle. Les molecules ne sont maintenues entre elles que par des forces de van der Waals
ChemInformVolume 20, Issue 40 Physical Organic Chemistry ChemInform Abstract: Crystal Studies of Heterocyclic Compounds Containing One Oxygen and Two Nitrogen Atoms. Part 10. N,N′-Ditosyl-6,7,8,13-tetrahydrodibenz(b,g) (1,4,6)oxadiazonine A. STEPIEN, A. STEPIEN Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorU. DEREWENDA, U. DEREWENDA Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorM. J. GRABOWSKI, M. J. GRABOWSKI Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorR. GLINKA, R. GLINKA Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorA. THOZET, A. THOZET Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this author A. STEPIEN, A. STEPIEN Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorU. DEREWENDA, U. DEREWENDA Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorM. J. GRABOWSKI, M. J. GRABOWSKI Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorR. GLINKA, R. GLINKA Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this authorA. THOZET, A. THOZET Dep. Crystallogr., Univ. Lodz, PL-90-136 Lodz, Pol.Search for more papers by this author First published: October 3, 1989 https://doi.org/10.1002/chin.198940048Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume20, Issue40October 3, 1989 RelatedInformation
C 29 H 28 N 2 O 5 S 2 cristallise dans P4 1 2 1 2 ou P4 3 2 1 2 avec a=10,229 et c=26,047 A, Z=4; affinement jusqu'a R=0,0329. Les molecules sont sur un axe d'ordre 2. Le cycle oxadiazecine est en conformation chaise avec les substituants tosyl axiaux. Les deux cycles benzene condenses sont presque paralleles