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N-(4-Methyl-phen-yl)-6-(pyrazol-1-yl)pyridazin-3-amine.

ABSTRACT: In the title compound, C(14)H(13)N(5), the pyrazole ring is disordered over two orientations in a 0.571?(10):0.429?(10) ratio and the dihedral angle between the pyridazine ring and the benzene ring is 28.07?(10)°. In the crystal, pairs of N-H?N and C-H?N hydrogen bonds link the mol-ecules into dimers, with the aid of a crystallographic twofold axis. The packing is consolidated by further C-H?N bonds and weak C-H?? inter-actions.

SUBMITTER: Ather AQ

PROVIDER: S-EPMC3007321 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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N-(4-Methyl-phen-yl)-6-(pyrazol-1-yl)pyridazin-3-amine.

Ather Abdul Qayyum AQ Tahir M Nawaz MN Khan Misbahul Ain MA Athar Muhammad Makshoof MM Bueno Eliana Aparecida Silicz EA

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

In the title compound, C(14)H(13)N(5), the pyrazole ring is disordered over two orientations in a 0.571 (10):0.429 (10) ratio and the dihedral angle between the pyridazine ring and the benzene ring is 28.07 (10)°. In the crystal, pairs of N-H⋯N and C-H⋯N hydrogen bonds link the mol-ecules into dimers, with the aid of a crystallographic twofold axis. The packing is consolidated by further C-H⋯N bonds and weak C-H⋯π inter-actions. ...[more]

PMID: 21588234

Similar Datasets

N-(2-Methyl-phen-yl)-6-(1H-pyrazol-1-yl)pyridazin-3-amine.

Project description:The title compound, C(14)H(13)N(5), crystallizes with two crystallographically independent mol-ecules in the unit cell. The two mol-ecules form dimers through inter-molecular N-H?N and C-H?N hydrogen bonds. The hydrogen-bonding motifs are R(2) (2)(8) for both the N-H?N and C-H?N inter-actions. The pyrazole and pyrimidine rings form dihedral angles of 6.2?(3) and 8.3?(3)° with each other and the dihedral angles between the pyrazole and benzene rings are 54.9?(2) and 58.6?(2)°. The benzene rings of neighbouring dimers also exhibit C-H?? inter-actions.

| S-EPMC2969459 | biostudies-literature

N-Phenyl-6-(1H-pyrazol-1-yl)pyridazin-3-amine.

Project description:The mol-ecule of title compound, C(13)H(11)N(5), is essentially planar (r.m.s. deviation = 0.0440?Å) and an intra-molecular C-H?N hydrogen bond generates an S(6) motif. In the crystal, mol-ecules are connected into chains by inter-molecular N-H?N and C-H?N hydrogen bonds. In addition, ?-? stacking inter-actions are observed between the pyrazole and pyridazine rings [inter-planar distance = 3.6859?(10)?Å].

| S-EPMC2979482 | biostudies-literature

4-(4-Chloro-phen-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazol-5-amine.

Project description:The five-membered ring of the title compound, C(11)H(9)ClF(3)N(3), is almost planar (r.m.s. deviation = 0.002 Å) and the phenyl-ene ring is aligned at 44.8 (1)°. The N atom of the amino substituent shows a pyramidal geometry and is a hydrogen-bond donor to a Cl atom and to a ring N atom, which together generate a layer motif.

| S-EPMC3007940 | biostudies-literature

6-Chloro-N-(2-meth-oxy-phen-yl)pyridazin-3-amine.

Project description:The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5?(2)°, whereas in mol-ecule B it is 27.93?(7)°. In mol-ecule B, an intramolecular N-H?O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H?N hydrogen bonds. The ?-? inter-actions between the pyridazine rings of A mol-ecules [3.4740?(13)?Å] and B mol-ecules [3.4786?(17)?Å] have very similar centroid-centroid separations. ?-? Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676?(2)?Å and a slippage of 1.02?Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H?N and C-H?Cl interactions.

| S-EPMC3275194 | biostudies-literature

Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.

Project description:In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89?(10) and 67.44?(10)°, respectively, with the pyridazine ring. The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9?(2)°]. The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36. In the crystal structure, inversion-related mol-ecules are linked through C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2961364 | biostudies-literature

A monoclinic polymorph of 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl-phen-yl)-1H-pyrazol-5-amine.

Project description:The title compound, C17H15N3O2, is a monoclinic polymorph (P21/c with Z' = 1) of the previously reported triclinic (P-1 with Z' = 2) form [Gajera et al. (2013 ?). Acta Cryst. E69, o736-o737]. The mol-ecule in the monoclinic polymorph features a central pyrazolyl ring with an N-bound p-tolyl group and a C-bound 1,3-benzodioxolyl fused-ring system on either side of the C atom bearing the amino group. The dihedral angles between the central ring and the N- and C-bound rings are 50.06?(5) and 27.27?(5)°, respectively. The angle between the pendent rings is 77.31?(4)°, indicating the mol-ecule has a twisted conformation. The five-membered dioxolyl ring has an envelope conformation with the methyl-ene C atom being the flap. The relative disposition of the amino and dioxolyl substituents is syn. One of the independent mol-ecules in the triclinic form has a similar syn disposition but the other has an anti arrangement of these substituents. In the crystal structure of the monoclinic form, mol-ecules assemble into supra-molecular helical chains via amino-pyrazolyl N-H?N hydrogen bonds. These are linked into layers via C-H?? inter-actions, and layers stack along the a axis with no specific inter-actions between them.

| S-EPMC4647416 | biostudies-literature

(E)-3-(4-Methyl-phen-yl)-3-[3-(4-methyl-phen-yl)-1H-pyrazol-1-yl]-2-propenal.

Project description:In the title compound, C(20)H(18)N(2)O, the pyrazole ring adopts a planar conformation. The C-N bond lengths in the pyrazole ring are shorter than a standard C-N single bond (1.443?Å), but longer than a standard double bond (1.269?Å), indicating electron delocalization. The propenal group assumes an extended conformation. Inter-molecular C-H?O hydrogen bonds connect mol-ecules into cyclic centrosymmetric R(2) (2)(26) dimers, which are cross-linked via C-H?? inter-actions.

| S-EPMC2959754 | biostudies-literature

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-Methyl-phen-yl)[1-(4-methyl-phen-yl)-3-(5-nitro-2-fur-yl)-1H-pyrazol-4-yl]methanone.

Project description:In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra-molecular C-H?O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004?(1) and 0.004?(2)?Å, respectively] and are almost coplanar, making a dihedral angle of 3.75?(10)°. One of the methyl-phenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41?(9)°. In the crystal structure, mol-ecules are linked into chains along [10] by C-H?O contacts. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.4437?(10)?Å].

| S-EPMC2972131 | biostudies-literature

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