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A second monoclinic polymorph of 2-[2-(4-meth-oxy-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

ABSTRACT: The title compound, C(22)H(18)N(2)O(3) is the second monoclinic polymorph (P2(1)/c) of the compound, the first being reported in space group P2(1) [Bertolasi et al. (1993 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 2223-2228]. In the mol-ecular structure of the title compound, the inter-planar angle between the benzoyl units is 80.04 (5)°, while the corresponding angles between the phenyl-hydrazinyl-idene and benzoyl groups are 36.11 (5) and 55.77 (2)°. A strong resonance-assisted intra-molecular N-H⋯O hydrogen bond is found. In the crystal, the entire supra-molecular structure is constructed by weak inter-molecular C-H⋯O inter-actions and an inter-ring π-π inter-action [centroid-centroid distance = 3.6088 (8) Å].

SUBMITTER: Bustos C

PROVIDER: S-EPMC3151915 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[2-(4-Acetyl-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:In the title compound, C(23)H(18)N(2)O(3), the inter-planar angle between the benzoyl units is 80.51?(6)° while the dihedral angles between the hydrazinyl-idene and benzoyl groups are 43.43?(6) and 54.16?(6)°. In the crystal, a strong resonance-assisted intra-molecular N-H?O hydrogen bond is observed. The mol-ecules form an inversion dimer via a pair of weak C-H?O hydrogen bonds and a ?-? inter-action [centroid-centroid distance of 3.5719?(10)?Å]. These dimers are linked via weak C-H?O contacts, forming chains along the b axis.

| S-EPMC3213496 | biostudies-literature

2-[2-(3-Chloro-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:The mol-ecular structure of the title compound, C(21)H(15)ClN(2)O(2), features one strong intra-molecular N-H?O resonance-assisted hydrogen bond (RAHB). In the crystal, mol-ecules form inversion-related dimers via pairs of weak inter-molecular N-H?O contacts. These dimers are further stabilized via three weak C-H?O contacts, developing the three-dimensional structure.

| S-EPMC3120543 | biostudies-literature

2-[2-(4-Bromo-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:The conformation of the title mol-ecule, C(21)H(15)BrN(2)O(2), is stabilized by a weak intra-molecular C-H?N hydrogen bond and a strong resonance-assisted N-H?O intra-molecular hydrogen bond. In the crystal, the mol-ecules are linked by weak inter-molecular C-H?O inter-actions, forming zigzag chains along the b axis.

| S-EPMC3120580 | biostudies-literature

2-[2-(4-Nitro-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:In the mol-ecular structure of the title compound, C(21)H(15)N(3)O(4), the inter-planar angle between the benzoyl units is 89.7?(1)°. The corresponding angles between the phenyl-hydrazono and the benzoyl groups are 31.4?(3) and 60.8?(2)°, respectively. In the crystal, a strong resonance-assisted intra-molecular hydrogen bond (N-H?O) and a weak intra-molecular hydrogen bond (C-H?N) strongly affect the observed conformation of the mol-ecule. The crystal packing is determined by a strong inter-molecular hydrogen bond (N-H?O), giving rise to a helical chain along the a axis. In addition, two weak inter-molecular contacts (C-H?O) are observed.

| S-EPMC3151834 | biostudies-other

2-Benzyl-isoindoline-1,3-dione: a monoclinic polymorph.

Project description:In the molecule of the title compound, C(15)H(11)NO(2), the dihedral angle between the ring systems is 81.3 (2)°. In the crystal structure, mol-ecules are held together via C-H⋯O inter-actions.

| S-EPMC2915367 | biostudies-literature

2-(4-Fluoro-benzyl-idene)propane-dinitrile: monoclinic polymorph.

Project description:The title compound, C10H5FN2, is a monoclinic (P21/c) polymorph of the previously reported triclinic (P-1) form [Anti-pin et al. (2003 ?). J. Mol. Struct. 650, 1-20]. The 13 non-H atoms in the title polymorph are almost coplanar (r.m.s. deviation = 0.020?Å); a small twist between the fluoro-benzene and dinitrile groups [C-C-C-C torsion angle = 175.49?(16)°] is evident in the triclinic polymorph. In the crystal, C-H?N inter-actions lead to supra-molecular layers parallel to (-101); these are connected by C-F?? inter-actions.

| S-EPMC3629574 | biostudies-literature

2-[(1,3-Benzo-thia-zol-2-yl)imino-meth-yl]-6-meth-oxy-phenol: a new monoclinic polymorph.

Project description:The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004 ?). Acta Cryst. E60, o1414-o1416]. The dihedral angle between the benzo-thia-zole (r.m.s. deviation = 0.010?Å) and the benzene ring of 7.86?(6)° compares with 10.76?(10)° in the literature structure. The meth-oxy substituent is almost coplanar with the benzene ring to which it is attached [C-O-C-C torsion angle = 178.31?(14)°] and the conformation about the imine bond [1.287?(2)?Å] is E. There is an intra-molecular O-H?N hydrogen bond and the hy-droxy O and thio-ether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C-H?O inter-actions and linked by ?-? inter-actions between the thia-zole and benzene rings [centroid-to-centroid distance = 3.8256?(10)?Å].

| S-EPMC3793768 | biostudies-literature

2-[Hy-droxy(4-meth-oxy-phen-yl)methyl-idene]indane-1,3-dione.

Project description:In the title compound, C(17)H(12)O(4), there is an intra-molecular O-H?O hydrogen bond. The dihedral angle between the indane ring system [maximun deviation = 0.023?(2)?Å] and the benzene ring is 37.42?(9)°.

| S-EPMC3379464 | biostudies-literature

A monoclinic polymorph of 5-[(1H-benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally by the hydro-thermal reaction of 5-[(1H-benzo[d]imidazol-1-yl)meth-yl]isophthalic acid with manganese chloride tetra-hydrate in the presence of KOH as alkaline reagent for the deprotonation. A triclinic polymorph of this structure has been reported previously from a similar reaction [Cheng (2011 ?). Acta Cryst. E67, o3299]. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.020?(4)?Å. The benzimidazole unit and benzene ring are inclined at a dihedral angle of 68.17?(4)°, reflecting the axial rotation of the flexible benzimidazolyl arm. In the crystal, pairs of O-H?O hydrogen bonds link adjacent mol-ecules into inversion dimers. O-H?N contacts connect these dimers into zigzag chains along [010].

| S-EPMC3515175 | biostudies-literature

A monoclinic polymorph of 1,3-bis-(2-pyridylamino-meth-yl)benzene.

Project description:The mol-ecules of the title compound, C(18)H(18)N(4), are linked by two different N-H⋯N(pyrid-yl) hydrogen bonds into a linear chain.

| S-EPMC2915309 | biostudies-literature

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