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1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4-meth-oxy-phen-yl)propyl-idene]amino}-3-(2-methyl-phen-yl)urea.

ABSTRACT: In the title compound, C(21)H(23)N(5)O(2), the conformation about the imine bond [1.287?(3)?Å] is E. Overall, the mol-ecule has a disk shape, the dihedral angles between the imidazole ring and the meth-oxy-phenyl and methyl-phenyl rings being 49.42?(13) and 42.62?(13)°, respectively; the dihedral angle between the benzene rings is 20.11?(11)°. In the urea moiety, the N-H atoms are anti to each other and one of these forms an intra-molecular N-H?N hydrogen bond. In the crystal, centrosymmetric dimers are formed via N-H?N(imidazole) hydrogen bonds, which are connected into a three-dimensional architecture by C-H?O(carbon-yl) and (methyl-ene)C-H?? inter-actions. The crystal studied was a non-merohedral twin with a minor component of 48.3?(1)%.

SUBMITTER: Attia MI

PROVIDER: S-EPMC3379375 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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1-{(E)-[3-(1H-Imidazol-1-yl)-1-(4-meth-oxy-phen-yl)propyl-idene]amino}-3-(2-methyl-phen-yl)urea.

Attia Mohamed I MI Aboul-Enein Mohamed N MN El-Brollosy Nasser R NR Ng Seik Weng SW Tiekink Edward R T ER

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

In the title compound, C(21)H(23)N(5)O(2), the conformation about the imine bond [1.287 (3) Å] is E. Overall, the mol-ecule has a disk shape, the dihedral angles between the imidazole ring and the meth-oxy-phenyl and methyl-phenyl rings being 49.42 (13) and 42.62 (13)°, respectively; the dihedral angle between the benzene rings is 20.11 (11)°. In the urea moiety, the N-H atoms are anti to each other and one of these forms an intra-molecular N-H⋯N hydrogen bond. In the crystal, centrosymmetric di ...[more]

PMID: 22719573

Similar Datasets

1-{(E)-[3-(1H-Imidazol-1-yl)-1-phenyl-propyl-idene]amino}-3-(2-methyl-phen-yl)urea.

Project description:In the title compound, C(20)H(21)N(5)O, the conformation about the imine bond [1.289?(3)?Å] is E. Overall, the mol-ecule is disk-shaped with the imidazole ring located above the remainder of the mol-ecule and with the dihedral angles of 10.97?(15) and 12.11?(15)°, respectively, between the imidazole ring and the phenyl and methyl-benzene rings; the dihedral angle between the aromatic rings is 8.17?(14)°. Within the urea unit, the N-H atoms are anti to each other and one of the N-H atoms forms an intra-molecular N-H?N hydrogen bond. Helical supra-molecular chains along [001] are formed via N-H?N(imidazole) hydrogen bonds in the crystal structure. These are connected into a three-dimensional architecture by C-H?O(carbon-yl) and C-H?? inter-actions.

| S-EPMC3379417 | biostudies-literature

1-{(E)-[4-(4-Meth-oxy-phen-yl)butan-2-yl-idene]amino}-3-methyl-thio-urea.

Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, C(13)H(19)N(3)OS, which differ in the conformations of the residues linking the thio-urea and the terminal benzene ring, as manifested in the C(m)-C(m)-C(a)-C(a) torsion angles [78.03 (16) and -93.64 (16)°, respectively; m = methyl-ene and a = aromatic]. The dihedral angles [84.40 (4) and 88.28 (5)°] formed between the thio-urea residue and the benzene ring indicate an almost orthogonal relationship. In each thio-urea residue, the N-H hydrogen atoms are anti, and the terminal N-H hydrogen atom forms an intra-molecular N-H⋯N hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812 (17) and 1.2801 (17) Å] is E. In the crystal, the mol-ecules are connected by N-H⋯S hydrogen bonds and these are connected into four mol-ecule aggregates via N-H⋯O hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C-H⋯π and π-π inter-actions [ring centroid-centroid distance = 3.8344 (9) Å].

| S-EPMC3344575 | biostudies-literature

(E)-N'-(4-Meth-oxy-benzyl-idene)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide.

Project description:In the title compound, C(14)H(15)N(5)O(4), the central -C=N-N-C(=O)-C- bridge is nearly planar [maximum deviation = 0.037?(1)?Å] and forms dihedral angles of 7.37?(9) and 73.33?(5)°, respectively, with the benzene and imidazole rings. The dihedral angle between the benzene and imidazole rings is 66.08?(9)°. The meth-oxy and nitro groups are nearly coplanar with the benzene and imidazole rings, respectively, with a C-O-C-C torsion angle of 5.9?(2)° and an O-N-C-C angle of -0.2?(2)°. In the crystal, mol-ecules are linked by a pair of N-H?O hydrogen bonds with an R(2) (2)(8) ring motif, forming an inversion dimer. The dimers are further inter-connected by C-H?O hydrogen bonds into a sheet parallel to the (111) plane. A C-H?? inter-action is also observed between the sheets.

| S-EPMC3470350 | biostudies-literature

2-[2-(4-Meth-oxy-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]ethanol.

Project description:In the title compound, C24H22N2O2, the central imidazole ring makes dihedral angles of 49.45 (8), 88.94 (9) and 19.43 (8)° with the benzene ring and the two phenyl rings, respectively. The dihedral angle between the phenyl rings is 77.86 (9)°, and they form dihedral angles of 49.06 (9) and 67.31 (8)° with the benzene ring. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming chains along the b axis. These chains are connected by C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (100). In addition, C-H⋯π inter-actions are also observed. The terminal C and O atoms of the ethanol group are disordered over two sets of sites with an occupancy ratio of 0.801 (5):0.199 (5).

| S-EPMC3629514 | biostudies-literature

4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.

Project description:In the title compound, C(18)H(17)N(3)O·0.5C(2)H(5)OH, the dihedral angles between the central imidazole rings and the pendant benzene rings are 42.06 (15) and 2.01 (16)° in one asymmetric mol-ecule and 47.91 (15) and 7.31 (14)° in the other. An intra-molecular N-H⋯O hydrogen bond occurs in each imidazole mol-ecule. In the crystal, the components are connected by O-H⋯N, N-H⋯O, C-H⋯O and N-H⋯N hydrogen bonds. Weak aromatic π-π inter-actions also occur [shortest centroid-centroid distance = 3.684 (3) Å].

| S-EPMC3569236 | biostudies-literature

2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

Project description:The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32?(10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28?(10) and 78.81?(7)°]. The crystal packing is dominated by C-H?O contacts and ?-? inter-actions [ring centroid distance = 3.6902?(12)?Å].

| S-EPMC3152050 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

5-Meth-oxy-3-[(5-meth-oxy-1H-indol-3-yl)(phen-yl)meth-yl]-1H-indole.

Project description:In the title compound, C(25)H(22)N(2)O(2), the indole rings are individually almost planar [with maximum deviations of 0.0116 (19) and 0.0113 (18) Å] and are almost orthogonal to each other, making a dihedral angle of 84.49 (6)°. The benzene ring is inclined at 72.83 (9) and 80.85 (9)° with respect to the indole rings. In the crystal, mol-ecules are linked by N-H⋯O inter-actions into chains running parallel to the c axis. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC3238863 | biostudies-literature

2-[(1H-Imidazol-1-yl)meth-yl]-1-[4-(trifluoro-meth-yl)phen-yl]-1H-indole.

Project description:In the title compound, C(19)H(14)F(3)N(3), the dihedral angles between the mean planes of the indole ring and the 4-CF(3)-phenyl and imidazole rings are 54.95?(4) and 61.36?(7)°, respectively.

| S-EPMC3344036 | biostudies-literature

N-[(9H-Fluoren-9-yl-idene)(2-meth-oxy-phen-yl)meth-yl]-1,1,1-tri-methyl-silanamine.

Project description:The title mol-ecule, C24H25NOSi, is a hydrolysis product of the reaction between 9-tri-methyl-silyfluorenyl lithium and 2-meth-oxy-benzo-nitrile. The fluorene ring system is substanti-ally planar, with an r.m.s. deviation of 0.0288 Å from the best-fit plane through its 13 C atoms. This plane forms a dihedral angle of 58.07 (7)° with the 2-meth-oxy-benzyl-amine ring plane. In the crystal, mol-ecules are linked by N-H⋯π and C-H⋯π inter-actions, which leads to the formation of two-dimensional network lying parallel to the bc plane.

| S-EPMC4029215 | biostudies-literature

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