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(E)-9-(But-2-en-1-yl)-6-chloro-9H-purine.

ABSTRACT: The asymmetric unit of the title compound, C9H9ClN4, contains two mol-ecules. In the crystal, the mol-ecules are ordered in a chain-like fashion along the a axis, and form layers offset relative to the C plane by approximately 30°. This ordering does not, however, appear to be directed by classical hydrogen bonding.The allylic side chains of both independent mol-ecules are disordered, with occupancies of 0.870 (4) and 0.934 (3) for the major components. The disorder components represent two possible spatial orientations of the atoms around the C=C double bond.

SUBMITTER: Lundvall F

PROVIDER: S-EPMC3684933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-Chloro-9-(2-nitro-phenyl-sulfon-yl)-9H-purine.

Project description:The title compound, C(11)H(6)ClN(5)O(4)S, crystallized with two independent mol-ecules in the asymmetric unit. The benzene ring makes dihedral angles of 66.46 (8) and 85.77 (9)° with the mean plane of the purine ring in the two mol-ecules. In the crystal, inter-molecular π-π stacking inter-actions [centroid-centroid distance = 3.8968 (12) Å], C-Cl⋯π inter-actions [Cl⋯centroid = 3.2505 (10) Å, C-Cl⋯centroid = 161.56 (18)°] and non-classical C-H⋯O and C-H⋯N hydrogen bonds link the molecules.

| S-EPMC3052074 | 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-Chloro-methyl-9-[(9H-fluoren-9-yl)meth-yl]-9H-fluorene.

Project description:In the title compound, C(28)H(21)Cl, the dihedral angle between the two fluorene ring systems is 71.97?(4)°. There is an intra-molecular C-H?Cl hydrogen bond. In the crystal structure, the centroid-to-centroid distance between stacked fluorene ring systems is ca 4.22?Å, which indicates that there are no ?-? stacking inter-actions between them.

| S-EPMC2961556 | biostudies-literature

2,6-Di-chloro-9-(2',3',5'-tri-O-acetyl-β-d-ribo-furanos-yl)-9H-purine.

Project description:The title synthetic analog of purine nucleosides, C16H16Cl2N4O7, has its acetyl-ated β-furan-ose ring in a 3'β-envelope conformation, with the corresponding C atom deviating by 0.602 (5) Å from the rest of the ring. The planar part of the furan-ose ring forms a dihedral angle of 65.0 (1)° with the mean plane of the purine bicycle. In the crystal, mol-ecules form a three-dimensional network through multiple C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π interactions.

| S-EPMC3998279 | biostudies-literature

trans-Dichloridobis{2-chloro-6-[(3-fluoro-benz-yl)amino]-9-isopropyl-9H-purine-κN (7)}platinum(II).

Project description:In the title compound, trans-[PtCl2(C15H15ClFN5)2], the Pt(II) atom, located on an inversion centre, is coordinated by the purine N atoms of the 2-chloro-6-[(3-fluoro-benz-yl)amino]-9-isopropyl-9H-purine ligands and two Cl atoms in a slightly distorted trans-square-planar coordination geometry [N-Pt-Cl angles = 89.91 (5) and 90.09 (5)°]. Weak intra-molecular N-H⋯Cl contacts occur. In the crystal, C-H⋯Cl and C-H⋯F contacts, as well as weak π-π stacking inter-actions [centroid-centroid distances = 3.5000 (11) and 3.6495 (12) Å] connect the mol-ecules into a three-dimensional architecture.

| S-EPMC3684891 | biostudies-literature

3,6-Dibromo-9-(4-chloro-benz-yl)-9H-carbazole.

Project description:The title compound, C(19)H(12)Br(2)ClN, was synthesized by N-alkyl-ation of 1-chloro-4-(chloro-meth-yl)benzene with 3,6-dibromo-9H-carbazole. The carbazole ring system is essentially planar (mean deviation of 0.028?Å) and makes a dihedral angle of 74.6?(3)° with the plane of the benzene ring.

| S-EPMC2968214 | biostudies-literature

6-(3,5-Dimeth-oxy-benzyl-amino)-9-(oxan-2-yl)-9H-purine.

Project description:The mol-ecule of the title compound, C19H23N5O3, contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers. The dimers are linked via C-H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C-H⋯π and parallel slipped π-π inter-actions [centroid-centroid distance = 3.467 (1) Å; slippage 0.519 Å], forming a three-dimensional network.

| S-EPMC3629587 | biostudies-literature

7,9-Bis(hy-droxy-meth-yl)-7H-purine-2,6,8(1H,3H,9H)trione.

Project description:The structure of the title uric acid derivative, C(7)H(8)N(4)O(5), from human kidney stones, is characterized by the C and O atoms of one of the two hy-droxy-methyl groups being disordered nearly equally over three different sites. In the crystal, mol-ecules are connected by a three-dimensional hydrogen-bonding scheme though they look stacked in planes nearly parallel to ([Formula: see text]04).

| S-EPMC3120625 | biostudies-literature

3,6-Di-chloro-9-(prop-2-yn-1-yl)-9H-carbazole.

Project description:The tricyclic aromatic ring system of the title compound, C15H9Cl2N, is essentially planar (r.m.s. deviation = 0.002?Å). The two Cl atoms lie slightly out of the plane of the carbazole ring system, with the C-Cl bonds forming angles of 1.23?(8) and 1.14?(8)° with the plane. The acetylene group has a syn orientation with respect to the ring system. In the crystal, no weak hydrogen bonds nor any ?-? stacking inter-actions are observed.

| S-EPMC3914073 | biostudies-literature

9,9-Bis[4-(2-chloro-eth-oxy)phen-yl]-9H-fluorene.

Project description:The title compound, C(29)H(24)Cl(2)O(2), a fluorene derivative, features a C atom that is connected to four phenyl-ene rings, two of which are almost coplanar (r.m.s. deviation = 0.035 Å) as they belong to the fluorene system. The other two rings are aligned at angles of 67.5 (5) and 85.5 (5)° with respect to the pair. The O and Cl atoms of the -OCH(2)CH(2)Cl- units adopt a gauche conformation [torsion angles = 61.6 (6) and 66.6 (5)°].

| S-EPMC3007866 | biostudies-literature

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