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N-tert-Butyl-2-(2,6-di-chloro-phen-yl)imidazo[1,2-a]pyrazin-3-amine.

ABSTRACT: In the title compound, C16H16Cl2N4, the imidazole ring mean plane makes a dihedral angle of 70.01 (1)° with the phenyl ring. The Cl atoms deviate by -0.0472 (6) and 0.0245 (8) Å from the plane of their attached benzene ring. In the crystal, mol-ecules are linked via pairs of C-H⋯N hydrogen bonds, forming inversion dimers.

SUBMITTER: Fatima Z

PROVIDER: S-EPMC3685091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-tert-Butyl-2-[4-(dimethyl-amino)-phen-yl]imidazo[1,2-a]pyrazin-3-amine.

Project description:In the title compound, C18H23N5, the imidazole ring makes a dihedral angles of 3.96?(8) and 19.02?(8)°, respectively, with the pyrazine and benzene rings while the dihedral angle between the pyrazine and benzene rings is 16.96?(7)°. In the crystal, mol-ecules are linked via N-H?N hydrogen bonds, forming chains along [010]. These chains are linked by C-H?N hydrogen bonds, forming two-dimensional networks lying parallel to (001).

| S-EPMC3629650 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-a]pyridine derivatives: N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine.

Project description:In the title imidazo[1,2-a]pyridine derivatives, N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine, C19H23N3O, (I), and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine, C19H24N4, (II), the 4-meth-oxy-phenyl ring in (I) and the 4-(di-methyl-amino)-phenyl ring in (II) are inclined to the respective imidazole rings by 26.69?(9) and 31.35?(10)°. In the crystal of (I), mol-ecules are linked by N-H?N hydrogen bonds, forming chains propagating along the [001] direction. The chains are linked by C-H?? inter-actions, forming layers parallel to the (010) plane. In (II), the crystal packing also features N-H?N hydrogen bonds, which together with C-H?N hydrogen bonds link mol-ecules to form chains propagating along the c-axis direction. The chains are linked by C-H?? inter-actions to form layers parallel to the (100) plane. Inversion-related layers are linked by offset ?-? inter-actions [inter-centroid distance = 3.577?(1)?Å]. The inter-molecular inter-actions of both compounds were analyzed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

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2,6-Di-tert-butyl-4-(3-chloro-2-hy-droxy-prop-yl)phenol.

Project description:In the title 2-propanol derivative, C(17)H(27)ClO(2), the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hy-droxy O atom belonging to the alkyl substituent of an adjacent mol-ecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73?(4):0.27?(4) ratio.

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Di-tert-butyl N-[2,6-bis-(methoxy-meth-oxy)phen-yl]imino-diacetate.

Project description:The title mol-ecule, C(20)H(31)NO(8), has pseudo-C2 symmetry about the C-N bond, with the bis-(tert-butoxy-carbon-yl)amino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxy-carbonyl (Boc) groups are orientated away from the substituted aniline group. As part of an anti-bacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.

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(1S*,2S*)-1,2-Di-tert-butyl-glycol.

Project description:In the crystal structure of the title compound, C(10)H(22)O(2), co-operative chains of O-H?O hydrogen bonds are established by intra- as well as inter-molecular inter-actions. These hydrogen bonds connect the mol-ecules into infinite strands along [100], with a binary level graph-set descriptor C(2) (2)(4). Excluding the H atoms on the hydr-oxy groups, the mol-ecule shows non-crystallographic C(2) symmetry.

| S-EPMC2968115 | biostudies-literature

2,6-Di-tert-butyl-4-(methoxy-meth-yl)phenol.

Project description:The title compound, C(16)H(26)O(2), was easily obtained in high yield when 4-bromo-methyl-2,6-di-tert-butyl-phenol was reacted with methanol. There are two independent mol-ecules in the asymmetric unit. The meth-oxy group in each of the independent mol-ecules was found to be disordered, with site-occupation factors of 0.8728?(18)/0.1272?(18) and 0.8781?(17)/0.1219?(17).

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Project description:In the title compound, C(19)H(31)NO(2)·H(2)O, the morpholine ring adopts a chair conformation, while the phenolic hydroxyl group is sterically hindered by the adjacent tert-butyl groups. The crystal structure is stabilized by a number of O-H⋯O, O-H⋯N and C-H⋯O hydrogen-bonding inter-actions, involving both the organic and the solvent mol-ecules.

| S-EPMC2960252 | biostudies-literature

[2,6-Bis(di-tert-butyl-phosphinometh-yl)-phen-yl-?P,C,P'](nitrato-?O)nickel(II).

Project description:The Ni(II) atom in the title compound, [Ni(C(24)H(43)P(2))(NO(3))], adopts a distorted square-planar geometry with the P atoms in a trans arrangement. The compound contains a twofold rotational axis with the nitrate group offset from this axis, except for an O atom of the nitrate group, generating two positions of 50% occupancy for the other atoms of the nitrate group.

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Tris(2,4-di-tert-butyl-phen-yl) phosphate.

Project description:The title compound, C(42)H(63)O(4)P, was isolated from the leaves of Vitex negundo. Two of the tert-butyl groups are disordered over two orientations with occupancy ratios of 0.57 (1):0.43 (1) and 0.67 (1):0.33 (1). Several intra-molecular C-H⋯O inter-actions are observed in the mol-ecular structure.

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2,6-Di-tert-butyl-4-(dimethyl-amino-meth-yl)phenol.

Project description:The title compound, C(17)H(29)NO, is an important hindered phenol derivative. The asymmetric unit contains two mol-ecules. Molecules inter-act through O-H?N hydrogen bonds to form a tetramer arranged around a twofold rotation axis.

| S-EPMC2915276 | biostudies-literature

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