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N-(3-Methyl-phen-yl)quinoxalin-2-amine monohydrate.

ABSTRACT: The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intra-molecular C-H⋯N(pyrazine) inter-action. In the crystal, the amine H atom forms an N-H⋯O hydrogen bond to the water mol-ecule, which in turn forms two O-H⋯N hydrogen bonds to the pyrazine N atoms of different organic mol-ecules. These inter-actions lead to supra-molecular arrays in the bc plane that are two mol-ecules thick; additional π-π inter-actions stabilize the layers [ring centroid-centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C-H⋯π contacts.

SUBMITTER: Idris A

PROVIDER: S-EPMC3007995 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-[3-(4-Fluoro-phen-yl)quinoxalin-2-yl]-N-isopropyl-pyridin-2-amine.

Project description:In the crystal structure of the title compound, C(22)H(19)FN(4), the quinoxaline system makes dihedral angles of 32.07?(13) and 69.64?(13)° with the 4-fluoro-phenyl and pyridine rings, respectively. The 4-fluoro-phenyl ring makes a dihedral angle of 71.77?(16)° with the pyridine ring. The crystal structure is stabilized by inter-molecular N-H?N hydrogen bonding.

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N-(4-Chloro-phen-yl)-N'-(3-methyl-phen-yl)succinamide monohydrate.

Project description:In the title hydrate, C(17)H(17)ClN(2)O(2)·H(2)O, the dihedral angles formed by the aromatic rings of the chloro-benzene and methyl-benzene groups with the mean planes of their attached NH-C(O)-CH(2) fragments are 16.6?(2) and 22.8?(2)°, respectively. In the crystal, O-H?O and N-H?O hydrogen bonds link the components into a two-dimensional network parallel to the ab plane.

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4-Methyl-N-(3-methyl-phen-yl)pyridin-2-amine.

Project description:The title amine, C(13)H(14)N(2), is twisted with a dihedral angle between the rings of 60.07?(9)°. The amine N-H group and pyridine N atom are syn allowing for the formation of centrosymmetric eight-membered {?HNCN}(2) synthons via N-H?N hydrogen bonds. The two-mol-ecule aggregates are sustained in the three-dimensional crystal packing via C-H?? and ?-? inter-actions [centroid-centroid distance for pyridyl rings = 3.7535?(12)?Å].

| S-EPMC3247467 | biostudies-literature

5-(4-Methyl-phen-yl)-1,3,4-oxadiazol-2-amine.

Project description:In the crystal structure of the title compound, C(9)H(9)N(3)O, adjacent mol-ecules are linked through N-H?N hydrogen bonds into a three-dimensional network.

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4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

Project description:In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02?(9)°. in the crystal, weak inter-molecular N-H?N inter-actions link pairs of molecules into centrosymmetric dimers.

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N-Benzoyl-N-(3-methyl-phen-yl)-O-[2-(2-nitro-phen-yl)acet-yl]hydroxyl-amine.

Project description:In the title mol-ecule, C(22)H(18)N(2)O(5), the nitro-substituted ring makes a dihedral angle of 81.9?(1)° with the benzoyl ring and a dihedral angle of 12.1?(1)° with the methyl-substituted ring.

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

Project description: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.

| S-EPMC3007321 | biostudies-literature

4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

Project description:In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99?(4)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H?S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face ?-? stacking inter-actions in a zigzag fashion along the c axis, with perpendicular ring distances of 3.463 and 3.639?Å, and a dihedral angle between the planes of 3.99?(2)°. The distance between the ring centroids is 4.420?(2)?Å.

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N-(4-Methyl-phen-yl)-N'-phenyl-butane-diamide monohydrate.

Project description:In the title hydrate, C(17)H(18)N(2)O(2)·H(2)O, the dihedral angles formed by the aromatic rings of the benzene and methyl-benzene groups with the mean planes of the attached NH-C(O)-CH(2) fragments are 12.6?(4) and 23.3?(3)°, respectively, while that between the two aromatic rings is 73.7?(2)°. In the crystal, the water mol-ecule accepts two and makes two hydrogen bonds. The mol-ecules are packed into layers parallel to (101) by O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC3120322 | biostudies-literature

2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

Project description:The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46?(7) and 60.98?(6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85?(7) and 62.78?(7)°, respectively. The dihedral angle between the two benzene rings is 64.98?(7)° in mol-ecule A and 65.53?(7)° in mol-ecule B. In the crystal, the two independent mol-ecules are linked by O-H?N and O-H?O hydrogen bonds, forming chains propagating along [100]. These chains are linked via C-H?F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

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