Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Meth-oxy-benz-yl)phthalimide: a triclinic polymorph.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(4-meth-oxy-benz-yl)-isoindoline-1,3-dione], C(16)H(13)NO(3), represents a triclinic polymorph of the previously reported monoclinic form [Warzecha et al. (2006 ▶). Acta Cryst. E62, o5450-o5452]. The reaction of potassium phthalimide and 4-meth-oxy-benzyl chloride in dimethyl-formamide gave platelet-shaped crystals; these were harvested and then needle-shaped crystals were deposited. The platelet- and needle-shaped crystals correspond to the triclinic and monoclinic forms, respectively. The N-C-C(ar)-C(ar) torsion angles between the ring systems are -82.66 (14) and 95.28 (13)°, resulting in a roof-shaped conformation. In the crystal, mol-ecules are accumulated by offset face-face π-π inter-actions between phthalimide units [centroid-centroid distances = 3.640 (2) and 3.651 (2) Å], with inter-planar distances of 3.321 (1) and 3.435 (1) Å. Weak inter-molecular C(ar-yl)-H⋯O=C and C(alk-yl)-H⋯O=C contacts form C(8) and C(11) infinite chain motifs, respectively.

SUBMITTER: Takahashi H

PROVIDER: S-EPMC3414914 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-[(4-Meth-oxy-benz-yl)imino-meth-yl]phenol.

Project description:In the title Schiff base compound, C(15)H(15)NO(2), prepared from 4-meth-oxy-benzyl-amine and salicyl-aldehyde, an intra-molecular O-H?N hydrogen bonds influences the mol-ecular conformation; the two aromatic rings form a dihedral angle of 73.5?(1)°. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into chains propagating in [010].

| S-EPMC3011435 | biostudies-literature

Monoclinic polymorph of 4-[(1H-benz-imidazol-1-yl)meth-yl]benzoic acid.

Project description:Three polymorphs of the title compound, C(15)H(12)N(2)O(2), were obtained accidentally as single crystals in the hydro-thermal reaction of the title compound with manganese bromide in the presence of N,N'-dimethyl-formamide at 373?K. Here we report the structure of the first polymorph. The benzimidazole ring is almost planar, the maximum deviation from the mean plane being 0.016?(1)?Å. The benzimidazole and benzene rings are approximately perpendicular, making a dihedral angle 85.56?(7)°, which is a reflection of the axial rotation of the flexible benzimidazolyl arm. In the crystal, adjacent mol-ecules are connected through O-H?N hydrogen bonds into a chain along [100], and neighboring chains are further linked by via weak C-H?O hydrogen-bonding inter-actions, forming a two-dimensional network.

| S-EPMC3201311 | biostudies-literature

2-[(E)-(4-Fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phenol.

Project description:In the title Schiff base, C(15)H(14)FNO(2), the dihedral angle between the benzene rings is 53.32?(8)°. In the crystal, mol-ecules related by a twofold rotation axis are linked by pairs of C-H?O hydrogen bonds into dimers with R(2) (2)(18) ring motifs. An intra-molecular O-H?N hydrogen bond is also observed.

| S-EPMC3414325 | biostudies-literature

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | biostudies-literature

2,3-Dibromo-1-[4-(2,3-dibromo-4,5-di-meth-oxy-benz-yl)-2,5-dimeth-oxy-benz-yl]-4,5-dimeth-oxy-benzene.

Project description:The mol-ecule of the title compound, C(26)H(26)Br(4)O(6), is located around a crystallographic inversion center. The dihedral angle between the central benzene ring and the outer benzene ring is 89.26?(1)°.

| S-EPMC3009213 | biostudies-literature

4-Meth-oxy-N-(4-nitro-benz-yl)aniline.

Project description:In the title compound, C(14)H(14)N(2)O(3), the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring is para-substituted by the amino-methyl-ene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions are also observed.

| S-EPMC3343958 | biostudies-literature

4-[1-(4-Hy-droxy-3-meth-oxy-benz-yl)-1H-benzimidazol-2-yl]-2-meth-oxy-phenol.

Project description:In the title mol-ecule, C(22)H(20)N(2)O(4), the dihedral angles between the benzimidazole ring system and the benzene rings are 44.26 (2) and 82.91 (2)°. Intra-molecular O-H⋯O hydrogen bonds occur. In the crystal, O-H⋯N and O-H⋯O hydrogen bonds connect the mol-ecules into a two-dimension network parallel to (10[Formula: see text]) and weak inter-molecular C-H⋯O hydrogen bonds complete the formation of a three-dimensional network.

| S-EPMC3247474 | biostudies-literature

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

N-(4-tert-Butyl-benz-yl)phthalimide.

Project description:The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15?(7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700?(4):0.300?(4). In the crystal, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H?O contact, together with weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.961?(2)?Å] generate a three-dimensional network.

| S-EPMC2977282 | biostudies-literature

Bis{2-[(E)-(4-fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phenolato}palladium(II).

Project description:In the title compound, [Pd(C(15)H(13)FNO(2))(2)], the Pd(II) atom is tetra-coordinated by two N atoms and two O atoms from the two 2-[(4-fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phen-oxy ligands, forming a square-planar geometry. The two N atoms and the two O atoms around the Pd(II) atom are trans to each other. The dihedral angle between the two fluoro-substituted benzene rings is 39.03?(6)°. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond. In the crystal, weak inter-molecular C-H?? inter-actions occur.

| S-EPMC3120330 | 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