Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2,3-Dimethyl-anilino)benzohydrazide.

ABSTRACT: In the title compound, C(15)H(17)N(3)O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif in the mol-ecule, and a short intra-molecular contact (H⋯H = 1.88 Å) is also observed. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers. The crystal packing also features C-H⋯π inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414975 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(E)-2-(2,3-Dimethyl-anilino)-N'-(thio-phen-2-yl-methyl-idene)benzohydrazide.

Project description:In the title compound, C(20)H(19)N(3)OS, the central benzene ring makes dihedral angles of 45.36 (9) and 55.33 (9)° with the thio-phene ring and the dimethyl-substituted benzene ring, respectively. The dihedral angle between the thio-phene ring and dimethyl-substituted benzene ring is 83.60 (9)°. The thio-phene ring and the benzene ring are twisted from the mean plane of the C(=O)-N-N=C bridge [maximum deviation = 0.0860 (13) Å], with dihedral angles of 23.86 (9) and 24.77 (8)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same acceptor atom, forming sheets lying parallel to the bc plane. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3414973 | biostudies-literature

[2-(2,3-Dimethyl-anilino)phen-yl]methanol.

Project description:In the title compound, C(15)H(17)NO, the 2,3-dimethyl-phenyl group is disordered over two sites with an occupancy ratio of 0.869?(3):0.131?(3). The major and minor components of the 2,3-dimethyl-anilino group are planar, with r.m.s. deviations of 0.0214 and 0.0303?Å, respectively, and are oriented at a dihedral angle of 2.6?(6)°. The phenyl-methanol-benzene ring is oriented at dihedral angles of 83.16?(6) and 81.0?(3)° with respect to the major and minor components of the 2,3-dimethyl-anilino group, respectively. An S(6) ring motif is present due to intra-molecular N-H?O hydrogen bonding. In the crystal, mol-ecules are connected into supra-molecular chains via O-H?O hydrogen bonding along the b axis. C-H?? inter-actions help to stabilize the crystal structure.

| S-EPMC3008038 | biostudies-literature

4-(2,3-Dimethyl-anilino)pent-3-en-2-one.

Project description:In the title compound, C(13)H(17)NO, the dihedral angle between the aryl ring and the amino-acryl-aldehyde mean plane [N-C=C-C=O; maximum deviation = 0.0144?(9)?Å] is 53.43?(4)°. There is an intra-molecular N-H?O hydrogen bond involving the amine and carbonyl groups. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [001].

| S-EPMC3470305 | biostudies-literature

(E)-2-(2,3-Dimethyl-anilino)-N'-[2-methyl-5-(prop-1-en-2-yl)cyclo-hex-2-enyl-idene]benzohydrazide.

Project description:The asymmetric unit of the title compound, C(25)H(29)N(3)O, comprises two crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the two mol-ecules are 59.7?(2) and 61.27?(18)°. The cyclo-hexene rings adopt sofa and half-chair conformations. In the crystal, mol-ecules are connected via N-H?O and weak C-H?O hydrogen bonds, forming chains along the a axis. In each mol-ecule, there is an intra-molecular N-H?O hydrogen bond.

| S-EPMC3344081 | biostudies-other

Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.

Project description:The asymmetric unit of the title compound, C22H21N3O2, consists of two independent mol-ecules (A and B) having differing conformations. The differences mainly concern the dihedral angles which the hy-droxy-phenyl and di-methyl-phenyl rings subtend to the central phenyl-ene ring, these being 30.16 (6) and 58.60 (6)° in mol-ecule A and 13.42 (7) and 60.31 (7)° in B. With the exception of the dimethyphenyl substituent, the conformations of the rest of each mol-ecule are largely determined by intra-molecular O-H⋯N and N-H⋯O hydrogen bonds. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains extending parallel to the a axis in which the types of mol-ecules alternate in an …A…B…A…B… fashion.

| S-EPMC4719921 | biostudies-literature

Tricyclo-hexyl[2-(2,3-dimethyl-anilino)benzoato-?O]tin(IV).

Project description:In the title compound, [Sn(C(6)H(11))(3)(C(15)H(14)NO(2))], the Sn(IV) atom adopts a distorted tetra-hedral SnOC(3) arrangement. The dihedral angle between the benzene rings in the mefanamic acid mol-ecule is 82.16?(17)° and intra-molecular N-H?O and C-H?O hydrogen bonds help to establish the conformation. Two of the cyclo-hexyl rings are disordered over two sets of sites with equal occupancies.

| S-EPMC2972085 | biostudies-other

2-(3,4-Dimethyl-anilino)acetohydrazide.

Project description:The title compound, C(10)H(15)N(3)O, crystallizes in an infinite two-dimensional polymeric network due to inter-molecular N-H?O hydrogen bonding. Intra-molecular N-H?N and inter-molecular C-H?N inter-actions are also present. The 3,4-dimethyl-phenyl unit is disordered over two sites with an occupancy ratio of 0.677?(5):0.323?(5). The dihedral angle between the benzene rings of the disordered components is 2.6?(6)°.

| S-EPMC2970176 | biostudies-literature

2-Anilino-4,6-dimethyl-pyrimidinium chloro-acetate.

Project description:In the crystal structure of the title compound, C(12)H(14)N(3) (+)·C(2)H(2)ClO(2) (-), the chloro-acetate anion is linked to the N-(4,6-dimethyl-pyrimidin-2-yl)aniline cation by N-H?O hydrogen bonding. Within the cation, the pyrimidine ring is twisted with respect to the phenyl ring by a dihedral angle of 7.59?(4)°.

| S-EPMC2915362 | biostudies-literature

Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-di-methyl-anilino)-N'-[(E)-(furan-2-yl)methyl-idene]benzohydrazide and N'-[(E)-benzyl-idene]-2-(2,3-di-methyl-anilino)benzo-hydrazide.

Project description:The conformation about the central benzene ring in the mol-ecule of (I), C20H19N3O2, is partially determined by an intra-molecular N-H⋯O hydrogen bond. In the crystal, chains parallel to the c axis are generated by inter-molecular N-H⋯O hydrogen bonds with the chains assembled into a three-dimensional network structure by inter-molecular C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions. The mol-ecule of (II), C22H21N3O, differs from (I) only in the substituent at the hydrazide N atom where a phenyl-methyl-ene moiety for (II) is present instead of a furan-methyl-ene moiety for (I). Hence, mol-ecules of (I) and (II) show similarities in their mol-ecular and crystal structures. The conformation of the central portion of the mol-ecule of (II) is also therefore partially determined by an intra-molecular N-H⋯O hydrogen bond and inter-molecular N-H⋯O hydrogen bonds form chains parallel to the c axis. Likewise, the chains are connected into a three-dimensional network by C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions.

| S-EPMC8061108 | biostudies-literature

N'-[(Z)-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl-idene]-2-hy-droxy-benzohydrazide.

Project description:In the title compound, C(19)H(18)N(4)O(3), the pyrazole ring is oriented at dihedral angles of 41.12?(7) and 12.25?(10)°, respectively, with respect to the planes of the phenyl and benzene rings. Intra-molecular N-H?O and O-H?O hydrogen bonds generate seven- and six-membered S(7) and S(6) ring motifs, respectively.

| S-EPMC3275035 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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