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2-Chloro-N-ethyl-9-isopropyl-9H-purin-6-amine.

ABSTRACT: In the title compound, C(10)H(14)ClN(5), the purine ring system is essentially planar, with an r.m.s. deviation from the least-squares plane defined by the nine constituent atoms of 0.0063 (11) Å. In the crystal, mol-ecules are linked by weak N-H⋯N and C-H⋯π inter-actions.

SUBMITTER: Giovagnoli FA

PROVIDER: S-EPMC3435794 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2-Chloro-N-ethyl-9-isopropyl-9H-purin-6-amine.

Giovagnoli Federico Andrés FA Rouchal Michal M Bartoš Peter P Vícha Robert R

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

In the title compound, C(10)H(14)ClN(5), the purine ring system is essentially planar, with an r.m.s. deviation from the least-squares plane defined by the nine constituent atoms of 0.0063 (11) Å. In the crystal, mol-ecules are linked by weak N-H⋯N and C-H⋯π inter-actions. ...[more]

PMID: 22969640

Similar Datasets

2-Chloro-9-isopropyl-N,N-dimethyl-9H-purin-6-amine.

Project description:In the title compound, C(10)H(14)ClN(5), the imidazole and pyrimidine rings are essentially planar [maximum deviation = 0.0013 (14) and 0.0207 (13) Å, respectively]. In the crystal, the mol-ecules are linked by weak C-H⋯N inter-actions into chains parallel to the c axis and the crystal packing is stabilized by additional weak C-H⋯N and C-H⋯Cl inter-actions.

| S-EPMC2979083 | biostudies-literature

N-Benzyl-9-isopropyl-9H-purin-6-amine.

Project description:The asymmetric unit of the title compound, C15H17N5, consists of two mol-ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190 Å) and the benzene ring are 89.21 (3) and 82.14 (4)°. The mol-ecules within the asymmetric unit are linked into dimers by pairs of N-H⋯N hydrogen bonds. Weak C-H⋯π contacts and π-π inter-actions [centroid-centroid = 3.3071 (1) Å] further connect the mol-ecules into a three-dimensional network.

| S-EPMC3685095 | biostudies-literature

4-(1-Adamantylmeth-yl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline.

Project description:The asymmetric unit of the title compound, C(25)H(30)ClN(5), consists of two mol-ecules with slightly different geometrical parameters. The dihedral angles between the purine and benzene rings are 39.54 (5) and 23.69 (5)° in the two mol-ecules. The adamantane cages consist of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 108 (2)-111 (2)°. In the crystal, mol-ecules are linked into dimers via two N-H⋯N hydrogen bonds.

| S-EPMC2969425 | biostudies-literature

9-Benzyl-6-benzyl-sulfanyl-9H-purin-2-amine.

Project description:In the title compound, C19H17N5S, the dihedral angles between the purine ring system (r.m.s. deviation = 0.009 Å) and the S-bound and methyl-ene-bound phenyl rings are 74.67 (8) and 71.28 (7)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)(8) loops. C-H⋯N inter-actions link the dimers into (100) sheets.

| S-EPMC3998501 | biostudies-literature

(1-Adamant-yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh-yl]phen-yl}methanone trichloro-methane solvate.

Project description:In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol-ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter-molecular N-H⋯N hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. The structure also contains inter-molecular C-H⋯O and C-H⋯N inter-actions. The benzene rings form offset face-to-face π-π stacking inter-actions with an inter-planar distance of 3.541 (4) Å and a centroid-to-centroid distance of 4.022 (4) Å.

| S-EPMC2969555 | biostudies-literature

2-(1-Adamant-yl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)amino-meth-yl]phen-yl}ethanone.

Project description:The structure of the title compound, C(27)H(32)ClN(5)O, consists of two crystallographically independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [maximum deviations of 0.046 (3) and 0.005 (2) Å, respectively], the dihedral angles between them being 76.44 (6) and 82.39 (6)°, and an adamantane cage consisting of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7 (2)-110.6 (2)°. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)° in the two conformers]. The crystal structure is stabilized by inter-molecular N-H⋯N inter-actions that link adjacent mol-ecules into dimers and by some non-bonding contacts of the C-H⋯Cl type.

| S-EPMC2968337 | biostudies-literature

N-(2-Meth-oxy-benz-yl)-9-(oxolan-2-yl)-9H-purin-6-amine.

Project description:The title compound, C17H19N5O2, features an almost planar purine skeleton (r.m.s. deviation = 0.009 Å) substituted by a tetra-hydro-furan ring, which adopts an envelope conformation. The purine and benzene rings subtend a dihedral angle of 66.70 (3)°. In the crystal, pairs of N-H⋯N hydrogen bonds connect adjacent mol-ecules into inversion dimers. C-H⋯N, C-H⋯O, C-H⋯π and π-π inter-actions [pyrimidine ring centroid-centroid distance = 3.3909 (1) Å] connect the dimers into a three-dimensional architecture.

| S-EPMC3629632 | biostudies-literature

2-Chloro-6-[(2,4-dimeth-oxy-benz-yl)amino]-9-isopropyl-9H-purine.

Project description:In the title compound, C17H20ClN5O2, the benzene ring and the purine ring system make a dihedral angle of 78.56 (4)°. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers. C-H⋯O and C-H⋯Cl contacts further link the mol-ecules, forming a three-dimensional network.

| S-EPMC3588409 | biostudies-literature

9-Ethyl-N-(3-nitro-benzyl-idene)-9H-carbazol-3-amine.

Project description:The title compound, C(21)H(17)N(3)O(2), crystallizes with two mol-ecules in the asymmetric unit. The carbazole groups show relatively small deviations from planarity [maximum displacements from the mean carbazole plane are 0.077 (7) and 0.101 (7) Å]. The dihedral angles between the 3-nitro-benzyl-idene-amine and carbazole groups are 37.9 (1) and 37.0 (1)° in the two mol-ecules.

| S-EPMC3151935 | biostudies-literature

Crystal structure of (E)-N-[(2-chloro-6-meth-oxy-quinolin-3-yl)methyl-idene]-9-ethyl-9H-carbazol-3-amine.

Project description:In the title compound, C25H20ClN3O, the C=N bond of the central imine group adopts an E conformation. The mean planes through the essentially planar carbazole [maximum deviation = 0.052 (2)Å] and quinoline [maximum deviation = 0.050 (2) Å] ring systems form a dihedral angle of 50.2 (1)°. In the crystal, mol-ecules are linked by C-H⋯π and π-π inter-actions [centroid-centroid distances ranging from 3.635 (2) to 3.739 (2) Å], forming a three-dimensional supra-molecular network.

| S-EPMC4438854 | biostudies-literature

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