Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[2-(Anthracen-9-yl-methyl-idene)hydrazinyl-idene]-3-chloro-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

ABSTRACT: In the title compound, C(24)H(18)ClN(3)O(2)S, the dihedral angle between the benzene ring and the anthracene ring system is 41.10?(8)°. The thia-zine ring has a half-chair conformation and the Cl atom is in an axial orientation. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(8) chains along [100]. A C-H?N short contact occurs in the mol-ecule, generating an S(6) ring.

SUBMITTER: Shafiq M

PROVIDER: S-EPMC3379367 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-[2-(Anthracen-9-yl-methyl-idene)hydrazinyl-idene]-3-chloro-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Shafiq Muhammad M Tahir M Nawaz MN Khan Islam Ullah IU Bokhari Tanveer Hussain TH Asghar Muhammad Nadeem MN

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(24)H(18)ClN(3)O(2)S, the dihedral angle between the benzene ring and the anthracene ring system is 41.10 (8)°. The thia-zine ring has a half-chair conformation and the Cl atom is in an axial orientation. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, generating C(8) chains along [100]. A C-H⋯N short contact occurs in the mol-ecule, generating an S(6) ring. ...[more]

PMID: 22719565

Similar Datasets

3-Chloro-1-methyl-4-[2-(3-phenyl-allyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81?(2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2?(4)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046?Å). The Cl atom is an axial conformation and is displaced by 1.761?(4)?Å from the thia-zine ring plane. In the crystal, inversion dimers linked by pairs of C-H?O inter-actions generate R(2) (2)(20) loops and further C-H?O hydrogen bonds link the dimers into (001) sheets. Weak aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.870?(3) and 3.883?(3)?Å] are also observed.

| S-EPMC3569230 | biostudies-literature

6-Bromo-1-methyl-4-[2-(1-phenyl-ethyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(17)H(16)BrN(3)O(2)S, the dihedral angle between the aromatic rings is 1.24?(15)° and the C=N-N=C torsion angle is 167.7?(3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.805?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027?Å). In the crystal, C-H?O inter-actions link the mol-ecules into C(10) [010] chains. A weak C-H?? inter-action is also observed.

| S-EPMC3569229 | biostudies-literature

1-Ethyl-4-{2-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(19)H(21)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.7?(2)° and the C=N-N=C torsion angle is 178.0?(2)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.802?(2)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.022?Å). In the crystal, mol-ecules are linked by C-H?O inter-actions, generating C(5) chains propagating in [010]. A weak C-H?? inter-action is also observed.

| S-EPMC3569261 | biostudies-literature

rac-(3S,4Z)-3-Chloro-4-[2-(3-fluoro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(16)H(13)ClFN(3)O(2)S, the dihedral angle between the benzene rings is 4.47?(3)°. The conformation of the thia-zine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, mol-ecules are linked by C-H?F inter-actions, generating C(12) chains propagating in [011]. Aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.753?(2) and 3.758?(2)?Å] also occur.

| S-EPMC3379366 | biostudies-literature

(3S,4Z)-3-Chloro-1-methyl-4-[(2E)-(3-methyl-benzyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2,1-benzothia-zine 2,2-dioxide.

Project description:In the title compound, C(17)H(16)ClN(3)O(2)S, the dihedral angle between the benzene rings is 7.75?(13)°. The thia-zine ring adopts an envelope conformation with the S atom as the flap at a distance of 0.813?(2)?Å from the plane through the other five atoms. In the crystal, C-H?O hydrogen bonds link the mol-ecules into chains propagating in [100].

| S-EPMC3275023 | biostudies-literature

6-Bromo-4-hydrazinyl-idene-1-methyl-3H-2?,1-benzothia-zine-2,2-dione.

Project description:In the title mol-ecule, C(9)H(10)BrN(3)O(2)S, the thia-zine ring has an envelope conformation with the S atom at the flap. The geometry around the S atom is distorted tetra-hedral. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds occur, generating R(2) (2)(6) ring motifs. N-H?O hydrogen bonds and C-H?O inter-actions connect the dimers, forming a three-dimentional network structure.

| S-EPMC3213521 | biostudies-literature

6-Bromo-1-methyl-4-[2-(4-methyl-benzyl-idene)hydrazinyl-idene]-3H-2?,1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(17)H(16)BrN(3)O(2)S, the two fused rings are twisted by a dihedral angle of 6.61?(15)°. The thia-zine ring adopts a sofa conformation. The toluene ring is oriented at dihedral angles of 15.5?(2) and 20.6?(2)° with respect to the bromo-benzene and thia-zine rings, respectively. The benzyl-idene system is approximately planar [r.m.s. deviation = 0.0388?Å]. In the cyrstal, weak inter-molecular C-H?O hydrogen bonds connects the mol-ecules into a chain along the b axis.

| S-EPMC3213534 | biostudies-literature

1-Methyl-4-[1-(1-phenyl-ethyl-idene)-hydrazin-2-yl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(17)H(17)N(3)O(2)S, the phenyl ring is oriented at dihedral angles of 8.5 (2) and 1.17 (14)°, respectively, to the C=N-N plane and the fused aromatic ring. The thia-zine ring adopts an envelope conformation with the S atom at the flap. In the crystal, a weak C-H⋯O inter-action connects the mol-ecules, forming a helical chain along the a axis.

| S-EPMC3393913 | biostudies-literature

3-Chloro-4-[2-(4-chloro-benzyl-idene)hydrazinyl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C16H13Cl2N3O2S, the dihedral angle between the aromatic rings is 6.62?(2)° and the C=N-N=C torsion angle is 176.2?(4)°. The thia-zine ring shows an envelope conformation, with the S atom displaced by 0.633?(6)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.037?Å). The Cl atom is an an axial conformation and is displaced by 2.015?(6)?Å from the thia-zine ring plane. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating a three-dimensional network. Very weak aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.928?(2)?Å] are also observed.

| S-EPMC3588526 | biostudies-other

(4Z)-1-Methyl-4-[(2E)-2-(4-methyl-benzyl-idene)hydrazin-1-yl-idene]-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

Project description:In the title compound, C(17)H(17)N(3)O(2)S, the dihedral angle between the aromatic rings is 6.3?(5)° and the C=N-N=C group is statistically planar [torsion angle = 179.8?(8)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by 0.823?(9)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012?Å). In the crystal, C-H?O inter-actions link the mol-ecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic ?-? stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826?(5)?Å and inter-planar angle = 6.3?(4)°].

| S-EPMC3470338 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data