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1,3-Bis(4-chloro-phen-yl)-1-methyl-1H-benzo[f]chromene.

ABSTRACT: The title compound, C(26)H(18)Cl(2)O, is a heterocyclic structure consisting of a benzo[f]chromene ring and two aromatic rings. The non-H atoms of the benzo[f]chromene ring are almost coplanar (rms deviation = 0.107 Å), and the methyl C atom lies 1.340 (4) Å from the mean plane of the benzo[f]chromene ring. The chromene ring forms dihedral angles of 88.45 (2)° with the benzene ring linked to the quaternary C atom and 50.74 (3)° with the benzene ring linked to the 3-position, while the dihedral angle between the two benzene rings is 67.58 (3)°.

SUBMITTER: Chen R

PROVIDER: S-EPMC3006997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 3-amino-1-(4-chloro-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.

Project description:In the title compound, C20H13ClN2O, the chloro-benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 81.26 (8)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, N-H⋯N hydrogen bonds generate chains along the b-axis direction. Further N-H⋯N hydrogen bonds link these chains into sheets parallel to (010). The crystal packing also features C-H⋯π inter-actions. The crystal studied was an inversion twin with a 0.557 (16):0.443 (16) domain ratio.

| S-EPMC4518915 | biostudies-literature

2,2'-{[2-(2-Chloro-phen-yl)-4-methyl-imidazolidine-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:In the title compound, C24H25ClN2O2, the 2-hy-droxy-benzyl substituents and the 2-chloro-phenyl group occupy the sterically preferred equatorial positions, whereas the methyl group occupies the axial position. The imidazolidine ring adopts an envelope conformation with one of the N atoms adjacent to the methylene group as the flap. The chloro-phenyl substit-uent approaches a nearly perpendicular orientation relative to the mean plane of the imidazolidine ring, making a dihedral angle of 73.44 (12)° and the Cl atom is almost coplanar with the C atom bearing the chloro-phenyl substituent [Cl-C-C-C torsion angle = 1.1 (3)°]. The hy-droxy-benzyl groups make dihedral angles of 71.23 (15) and 69.13 (19)° with the mean plane of the heterocyclic ring. The dihedral angle between the two hy-droxy-benzyl groups is 69.61 (12)°. The mol-ecular structure features two intra-molecular O-H⋯N hydrogen bonds with graph-set motif S(6) between the phenolic hydroxyl groups and N atoms.

| S-EPMC3793727 | biostudies-literature

1-Methyl-3-trifluoro-methyl-5-[(3-chloro-phen-yl)sulfanyl]-1H-pyrazole-4-carbaldehyde O-(4-chloro-benzo-yl)oxime.

Project description:In the title compound, C(19)H(12)Cl(2)F(3)N(3)O(2)S, the 3-chloro-phenyl and 4-chloro-phenyl rings form dihedral angles 89.5 (2) and 11.4 (2)°, respectively, with the pyrazole ring. In the crystal, mol-ecules related by translation along the a axis are linked into chains via C-H⋯N hydrogen bonds.

| S-EPMC3238989 | biostudies-literature

2-Amino-4-[1-(2-chloro-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-6-(4-methyl-phen-yl)benzene-1,3-dicarbonitrile.

Project description:In the title compound, C(24)H(17)ClN(6), the dihedral angles between the triazolyl ring and its adjacent chlorobenzene and trisubstituted benzene rings are 90.6 (2) and 55.7 (3)°, respectively. The dihedral angle between the trisubstituted ring and the attached tolyl ring of the biphenyl unit is 45.9 (3)°. Intra- and intermolecular N-H⋯N hydrogen bonds are present.

| S-EPMC2977799 | biostudies-literature

Ethyl 1,4-bis-(4-chloro-phen-yl)-2-methyl-1H-pyrrole-3-carboxyl-ate.

Project description:In the title mol-ecule, C20H17Cl2NO2, the pyrrole moiety makes dihedral angles of 63.42 (11) and 70.43 (12)° with the chlorobenzene rings. The eth-oxy-carbonyl unit is present in a synperiplanar conformation with respect to the pyrrole ring, as indicated by the dihedral angle of 14.5 (3)°. In the crystal, mol-ecules are linked into chains parallel to the a-axis direction by weak C-H⋯O hydrogen bonds.

| S-EPMC3793764 | biostudies-literature

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-chloro-phen-yl}(4-chloro-phen-yl)methan-one.

Project description:In the title compound, C21H13Cl2NO2S, the benzo-thia-zole ring makes dihedral angles of 0.94 (1) and 70.65 (5)° with the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring, respectively. The dihedral angle between the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring is 66.20 (5)°. The crystal structure consists of dimeric units generated by C-H⋯N hydrogen bonds, further linked by C-H⋯O and C-H⋯π inter-actions, leading to a three-dimensional network.

| S-EPMC3770393 | biostudies-literature

Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate.

Project description:In the title compound, C(31)H(29)NO(5), the methyl carboxyl-ate and dimethyl-amino groups on the naphtho-pyran group are almost coplanar with the naphtho-pyran ring system [r.m.s. deviations = 0.08?(2) and 0.161?(2)?Å, respectively]. The dihedral angle between the methyl carboxyl-ate and dimethyl-amino groups is 4.9?(1)°. The pyran ring has an envelope conformation with the quaternary C atom out of plane by 0.4739?(13)?Å. The meth-oxy-phenyl substituent forms a dihedral angle of 16.6?(1)° with the plane of the benzene ring, while the other meth-oxy-phenyl group is almost coplanar, making a dihedral angle of 1.4?(1)°.

| S-EPMC3100025 | biostudies-literature

1,3-Bis(4-chloro-phen-yl)-4,5-diethoxy-imidazolidine.

Project description:In the mol-ecule of the title compound, C(19)H(22)Cl(2)N(2)O(2), the two benzene rings are oriented at a dihedral angle of 3.70 (3)°. The five-membered ring adopts an envelope conformation.

| S-EPMC2959530 | biostudies-literature

1-{4-Chloro-2-[2-(2-fluoro-phen-yl)-1,3-dithio-lan-2-yl]phen-yl}-2-methyl-1H-imidazole-5-carbaldehyde.

Project description:There are two mol-ecules in the asymmetric unit of the title imidazole derivative, C(20)H(16)ClFN(2)OS(2). In one mol-ecule, the dithiol-ane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chloro-phenyl and 2-fluoro-phenyl rings, respectively, in one mol-ecule; in the other mol-ecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions and these linked mol-ecules are stacked along the b axis by π-π inter-actions with a centroid-centroid distance of 3.4922 (11) Å. In addition, π-π inter-actions between the imidazole and 2-fluoro-phenyl rings are also observed, with centroid-centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C-H⋯π inter-actions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)-3.393 (3) Å] short contacts are also observed.

| S-EPMC3051534 | biostudies-literature

(Z)-1,3-Bis(4-chloro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(17)H(11)Cl(2)N(3)O, the C=C bond connecting the triazole and 4-chloro-phenyl groups adopts a Z geometry. The dihedral angles formed by the triazole ring and the 4-chloro substituted benzene rings are 67.3 (1) and 59.1 (1)°. The dihedral angle between the two benzene rings is 73.5 (1)°.

| S-EPMC3344571 | biostudies-literature

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