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1-Phenyl-6,7,8,9-hexa-hydro-1H,5H-cyclo-hepta-[1',2':2,3]pyrido[6,5-c]pyrazol-4-amine: a new tacrine analogue.

ABSTRACT: The title compound, C(17)H(18)N(4), contains a pyrazolopyridine system fused with a seven-membered carbocyclic ring. The pyrazole ring is coplanar with the pyridine ring, while the phenyl ring is twisted by a dihedral angle of 14.38?(14)° with respect to the pyridine ring. The seven-membered ring displays a chair conformation. The packing is stabilized by N-H?N hydrogen bonds and N-H??(arene) inter-actions.

SUBMITTER: Zhang L

PROVIDER: S-EPMC2961386 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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1-Phenyl-6,7,8,9-hexa-hydro-1H,5H-cyclo-hepta-[1',2':2,3]pyrido[6,5-c]pyrazol-4-amine: a new tacrine analogue.

Zhang Lijun L Shi Daxin D Li Jiarong J Zhang Ling L Fan Yanqiu Y

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

The title compound, C(17)H(18)N(4), contains a pyrazolopyridine system fused with a seven-membered carbocyclic ring. The pyrazole ring is coplanar with the pyridine ring, while the phenyl ring is twisted by a dihedral angle of 14.38 (14)° with respect to the pyridine ring. The seven-membered ring displays a chair conformation. The packing is stabilized by N-H⋯N hydrogen bonds and N-H⋯π(arene) inter-actions. ...[more]

PMID: 21202575

Similar Datasets

Crystal structures of 2-benzyl-amino-4-(4-bromo-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile and 2-benzyl-amino-4-(4-chloro-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta[b]pyridine-3-carbo-nitrile.

Project description:In the title compounds, C24H22BrN3, (I), and C24H22ClN3, (II), the 2-amino-pyridine ring is fused with a cyclo-heptane ring, which adopts a half-chair conformation. The planes of the phenyl and benzene rings are inclined to that of the central pyridine ring [r.m.s. deviations = 0.0083 (1) and 0.0093 (1) Å for (I) and (II), respectively] by 62.47 (17) and 72.51 (14)°, respectively, in (I), and by 71.44 (9) and 54.90 (8)°, respectively, in (II). The planes of the aromatic rings are inclined to one another by 53.82 (17)° in (I) and by 58.04 (9)° in (II). In the crystals of both (I) and (II), pairs of N-H⋯Nnitrile hydrogen bonds link the mol-ecules, forming inversion dimers with R 2 (2)(12) ring motifs. In (I), the resulting dimers are connected through C-H⋯Br hydrogen bonds, forming sheets parallel to (10-1), and π-π inter-actions [inter-centroid distance = 3.7821 (16) Å] involving inversion-related pyridine rings, forming a three-dimensional network. In (II), the resulting dimers are connected through π-π inter-actions [inter-centroid distance = 3.771 (2) Å] involving inversion-related pyridine rings, forming a two-dimensional network lying parallel to (001).

| S-EPMC4331894 | biostudies-literature

2-(4-Bromo-phen-yl)-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine.

Project description:In the title compound, C23H22BrNO, the cyclo-heptane ring adopts a chair conformation. The pyridine ring makes dihedral angles of 58.63 (15) and 8.27 (16)° with the benzene rings. The dihedral angle between the benzene rings is 56.68 (17)°. The crystal packing features C-Br⋯π inter-actions [Br⋯centroid distances= 3.813 (2) and 3.839 (2) Å; C-Br⋯centroid = 126.25 (10) and 138.31 (10)°, respectively, forming a three dimensional supramolecular architecture.

| S-EPMC3685096 | biostudies-literature

Crystal structure of 2-benzyl-amino-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile.

Project description:The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013?Å) carries three substituents, viz. a benzyl-amino group, a meth-oxy-phenyl ring and a carbo-nitrile group. The N atom of the carbo-nitrile group is significantly displaced [by 0.2247?(1)?Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91?(7)° and to the pyridine ring by 76.68?(7) and 49.80?(6)°, respectively. In the crystal, inversion dimers linked by pairs of N-H?Nnitrile hydrogen bonds generate R 2 (2)(14) loops. The dimers are linked by C-H?? and slipped parallel ?-? inter-actions [centroid-centroid distance = 3.6532?(3)?Å] into a three-dimensional structure.

| S-EPMC4257429 | biostudies-literature

Dicaesium hexa-mercury hepta-sulfide.

Project description:The title compound, Cs(2)Hg(6)S(7), crystallizes in a new structure type that is closely related to that of K(2)Zn(6)O(7). The structure comprises a three-dimensional mercury sulfide network that is composed of channels. These channels, which are along [001], are of two different diameters. The crystal structure contains one Cs, two Hg, and three S atoms in the asymmetric unit. The Cs, one Hg, and one S atom are at sites of symmetry m, whereas a second S atom is at a site of symmetry 2mm. The Hg atoms are bound to the S atoms in both three- and four-coordinate geometries. The caesium cations occupy the central spaces of the larger diameter channels and exhibit a coordination number of 7.

| S-EPMC2960640 | biostudies-literature

5-Benzyl-5H-pyrido[3,2-b]indole.

Project description:The title compound, C(18)H(14)N(2), was prepared by twofold Pd-catalyzed aryl-amination of a cyclic pyrido-benzo-iodo-lium salt. In the crystal, two mol-ecules of 9-benzyl-?-carboline form centrosymmetrical dimers with distances of 3.651?(2)?Å between the centroids of the pyridine rings and 3.961?(2)?Å between the centroids of the pyrrole and pyridine rings. The phenyl rings point to the other mol-ecule in the dimer and the carboline core is essentially planar [maximum deviation of 0.027?(2)?Å].

| S-EPMC3200621 | biostudies-literature

2-Acetyl-3,5,5,9-tetra-methyl-6,7,8,9-tetra-hydro-5H-benzocyclo-hepten-7-one.

Project description:The title compound, C(17)H(22)O(2), was semi-synthesized from a mixture of ?-atlantone (Z) and ?-atlantone (E), which were isolated from the essential oil of the Atlas cedar (cedrus atlantica). The mol-ecule consists of fused six- and seven-membered rings. The seven-membered ring is in a screw-boat conformation.

| S-EPMC3050136 | biostudies-literature

7,8,9,10-Tetra-hydro-cyclo-hepta-[b]indol-6(5H)-one.

Project description:In the title mol-ecule, C(13)H(13)NO, the dihedral angle between the benzene and pyrrole rings is 1.05?(5)°. The cyclo-heptene ring adopts a slightly distorted boat conformation. In the crystal structure, inter-molecular N-H?O hydrogen bonds form centrosymmetric dimers. A C-H?? inter-action, involving the benzene ring, is also found in the structure.

| S-EPMC2960645 | biostudies-literature

Crystal structure of hepta-guanidinium nona-hydrogen bis-[α-hexa-molybdoplatinate(IV)] hepta-hydrate.

Project description:The title compound, (CH6N3)7H9[PtMo6O24]2·7H2O, containing the well-known Anderson-type heteropolyoxomolybdate, was obtained by recrystallization of its powdered guanidinium salt. The protonated O atoms in the polyanion were confirmed by electron-density maps, inter-polyanion hydrogen bonds and bond-valance sums (BVS). The {[H4.5PtMo6O24]2}(7-) polyanion is the same as that already characterized in K7[H4.5PtMo6O24]2·11H2O [space group P-1; Lee & Joo (2010 ▶). Acta Cryst. E66, i8-i9]. The heteropolyanions form inversion-generated dimers, {[H4.5PtMo6O24]2}(7-), held together by each of the four μ3-O-H⋯μ1-O, two μ2-O-H⋯μ2-O hydrogen bonds and one centrosymmetric μ3-O-H-μ3-O hydrogen bond. The H atom of the centrosymmetric hydrogen bond is located on an inversion centre. One guanidinium ion and one water mol-ecule are equally disordered about a twofold rotation axis.

| S-EPMC4350731 | biostudies-literature

Redetermination of hexa-sodium hepta-molybdate(VI) 14-hydrate.

Project description:The structure of the title compound, Na(6)(Mo(7)O(24))·14H(2)O, has been redetermined [Sjöbom & Hedman (1973). Acta Chem. Scand.27, 3673-3674] and the hydrogen atoms have been located. The Na(+) cations adopt distorted octa-hedral geometries and the structure of the [Mo(7)O(24)](6-) anion is consistent with those of other hepta-molbydates. In the crystal, numerous O-H?O hydrogen bonds help to establish the packing.

| S-EPMC2979069 | biostudies-literature

Triammonium hexa-hydroxidoocta-deca-oxidohexa-molybdogallate(III) hepta-hydrate.

Project description:The title compound, (NH(4))(3)[GaMo(6)(OH)(6)O(18)]·7H(2)O, contains two centrosymmetric GaMo(6) B-type Anderson cluster units consisting of central GaO(6) octa-hedra surrounded by a hexa-gonal assembly of MoO(6) edge-sharing octa-hedra. Like other B-type Anderson clusters, where the central Mo atom is substituted with a di- or trivalent metal ion, the central six μ(3)-oxido bridges are protonated. The average Ga-O bond length is 1.97 (1) Å, whereas the average Mo-O distances are 2.29 (2), 1.94 (1) and 1.709 (5) Å, respectively, for Mo-(μ(3)-OH), Mo-(μ(2)-O) and Mo=O bonds. In the crystal structure, the Ga(μ(3)-OH)(6)Mo(6)O(18) (3-) polyanionic clusters are surrounded by NH(4) (+) cations and solvent water mol-ecules, forming an extended network of hydrogen bonds.

| S-EPMC2960397 | biostudies-literature

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