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4-[5-Amino-4-(4-fluoro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzo-nitrile.

ABSTRACT: In the crystal structure of the title compound, C(21)H(14)FN(5), the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluoro-phenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N-H⋯N hydrogen bonds, which result in a two-dimensional network parallel to the ac-plane.

SUBMITTER: Abu Thaher B

PROVIDER: S-EPMC3343917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Project description:In the crystal structure of the title compound, C(20)H(14)FN(5)O(2), the pyrazole ring forms dihedral angles of 59.3?(2), 25.6?(2) and 46.0?(2)° with the directly attached 4-fluoro-phenyl, pyridine and nitro-phenyl rings, respectively. The crystal packing is characterized by inter-molecular N-H?N and N-H?O hydrogen bonds.

| S-EPMC3295427 | biostudies-literature

4-(4-Fluoro-phen-yl)-3-(pyridin-4-yl)-1-(2,4,6-trichloro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(20)H(12)Cl(3)FN(4), the pyrazole ring forms dihedral angles of 47.51 (9), 47.37 (9) and 74.37 (9)° with the directly attached 4-fluoro-phenyl, pyridine and 2,4,6-trichloro-phenyl rings, respectively. Only one of the two amino H atoms is involved in hydrogen bonding. The crystal packing is characterized by N-H⋯N hydrogen bonds, which result in infinite chains parallel to the c axis.

| S-EPMC3435635 | biostudies-literature

4-(4-Fluoro-phen-yl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(20)H(15)FN(4), the pyrazole ring forms dihedral angles of 43.51?(6), 39.95?(6) and 32.23?(6)° with the directly attached 4-fluoro-phenyl, pyridine and phenyl rings, respectively. The crystal packing is stabilized by inter-molecular N-H?N and N-H?F hydrogen bonds.

| S-EPMC3295426 | biostudies-literature

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

3-Amino-1-(4-fluoro-phen-yl)-7-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

Project description:In the title compound, C21H15FN2O2, the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136?(2)?Å above the C5 plane which has an r.m.s. deviation of 0.0229?Å]. Overall, the 1H-benzo[f]chromene fused-ring system approximates a plane (r.m.s. deviation of the 14 non-H atoms = 0.049?Å). The fluoro-benzene ring is almost perpendicular to this plane [dihedral angle = 89.58?(8)°]. Zigzag supra-molecular tapes along the b axis are the most notable feature of the crystal packing. This arises through an alternating sequence of 12-membered {?HNC3N}2 and eight-membered {?HNCO}2 synthons. These are connected into a three-dimensional architecture by ?-? [inter-centroid distance for centrosymmetrically related fluoro-benzene rings = 3.5181?(10)?Å] and C-H?? inter-actions.

| S-EPMC3629516 | biostudies-literature

3-Amino-1-(4-fluoro-phen-yl)-8-meth-oxy-1H-benzo[f]chromene-2-carbonitrile.

Project description:The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052?Å), with the fluoro-benzene ring being almost perpendicular to this [dihedral angle = 85.30?(7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132?(2)?Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107?Å). In the crystal, inversion dimers are formed via pairs of amine-cyano N-H?N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C-H?N(cyano), C-H?? and ?-? [inter-centroid distance = 3.6671?(10)?Å] inter-actions.

| S-EPMC3629515 | biostudies-literature

1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol-ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro-phenyl rings. In mol-ecules A and C one of the fluoro-phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol-ecule A and 0.67 (2):0.33 (2) for mol-ecule C. The dihedral angle between the two fluoro-phenyl rings in the independent mol-ecules lie in the range 70.3 (3)-84.0 (3)°. In the crystal structure, the mol-ecules are linked via inter-molecular C-H⋯O and C-H⋯F hydrogen bonds and π⋯π stacking inter-actions [centroid-centroid distance = 3.7508 (13) Å], forming a three-dimensional network.

| S-EPMC2983722 | biostudies-literature

2-[5-(2-Fluoro-phen-yl)-3-isobutyl-1H-pyrazol-1-yl]benzoic acid.

Project description:In the title compound, C(20)H(19)FN(2)O(2), the dihedral angle between the aromatic rings is 62.1 (1)°, and those between the pyrazole ring and the fluoro-benzene and benzoic acid rings are 52.1 (1) and 53.1 (1)°, respectively. In the crystal, mol-ecules are linked into [010] C(7) chains by O-H⋯N hydrogen bonds.

| S-EPMC3569238 | biostudies-literature

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

Project description:In the title compound, C21H16N2O2, the meth-oxy-benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 83.62 (5)°. The 4H-pyran ring fused with the naphthalene ring system is almost planar [maximum deviation = 0.033 (1) Å]. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯N hydrogen bonds. N-H⋯O hydrogen bonds connect the dimers, forming a helical supra-molecular chain along the a-axis direction. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC4518947 | biostudies-literature

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

Project description:In the title compound, C20H14N2O2, the hy-droxy-benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular layer in the bc plane; N-H⋯π inter-actions also contribute to this arrangement. The layers are linked by weak by C-H⋯π and π-π [inter-centroid separation = 3.8713 (7) Å] inter-actions.

| S-EPMC4571384 | biostudies-literature

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