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Tert-Butyl 2-methyl-2-(4-methyl-benzo-yl)propanoate.

ABSTRACT: The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, the mol-ecules are linked into infinite chains held together by weak C-H⋯O hydrogen-bonded inter-actions between an H atom on the benzene ring of one mol-ecule and an O atom on the ketone functionality of an adjacent mol-ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro-phobic stacking, with short C-H⋯H-C contacts (2.37 Å) between adjacent chains.

SUBMITTER: Gould GB

PROVIDER: S-EPMC2979969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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tert-Butyl 2-methyl-2-(4-nitro-benzo-yl)propanoate.

Project description:The title compound, C(15)H(19)NO(5), is bent with a dihedral angle of 61.8?(2)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). The dihedral angle of 0.8?(2)° between the mean planes of the nitro group and the benzene ring indicates near coplanarity. In the crystal, each mol-ecule is linked to four adjacent mol-ecules by weak C-H?O hydrogen-bonding inter-actions. Both benzene H atoms ortho to the ketone O atom form C-H?O hydrogen bonds with the keto O atoms of two neighboring mol-ecules (of the keto and ester groups, respectively), and the two other inter-actions involve the H atoms from a methyl group of the dimethyl residue, displaying C-H?O inter-actions with the O atoms of the nitro groups. These four inter-actions for each mol-ecule lead to the formation of two-dimensional sheets with a hydro-philic inter-ior, held together by weak hydrogen-bonded inter-actions, and a hydro-phobic exterior composed of protruding methyl groups which interst-ack with the methyl groups in adjacent sheets.

| S-EPMC2979732 | biostudies-other

tert-Butyl 2-(4-chloro-benzo-yl)-2-methyl-propanoate.

Project description:The title compound, C(15)H(19)ClO(3), is bent with a dihedral angle of 72.02?(9)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, mol-ecules related by inversion symmetry are connected by weak C-H?O inter-actions into infinite chains. These inter-actions involve H atoms from a methyl group of the dimethyl residue and the O atoms of the ketone on one side of a mol-ecule; on the other side there are inter-actions between H atoms of the benzene ring and the carbonyl O atoms of the ester functionality. There are no directional inter-actions between the chains.

| S-EPMC2979824 | biostudies-other

tert-Butyl 2-benzoyl-2-methyl-propanoate.

Project description:The title compound, C(15)H(20)O(3), is bent with a dihedral angle of 67.28?(9)° between the mean planes of the phenyl ring and a group encompassing the ester functionality (O=C-O-C). In the crystal, mol-ecules related by inversion symmetry are connected by weak C-H?O inter-actions into infinite chains. On one side of the mol-ecule there are two adjacent inter-actions between neighbouring mol-ecules involving the H atoms of methyl groups from the dimethyl groups and the O atoms of the ketone; on the other side, there are also two inter-actions to another adjacent mol-ecule involving the H atoms on the phenyl rings and the carbonyl O atoms of the ester functionality.

| S-EPMC2979963 | biostudies-literature

tert-Butyl N-(4-methyl-2-pyrid-yl)-carbamate.

Project description:The crystal structure of the title compound, C(11)H(16)N(2)O(2), contains two crystallographically independent mol-ecules forming dimers by pairs of inter-molecular N-H?N hydrogen bonds. The two mol-ecules are related by a pseudo-twofold axis. The dihedral angle between the pyridine ring and the carbamate plane differs in the two mol-ecules [12.1?(3) and 3.5?(3)°].

| S-EPMC2959623 | biostudies-literature

2,4-Di-tert-butyl-6-[1-(3,5-di-tert-butyl-2-hydroxy-phen-yl)eth-yl]phenyl 4-methyl-benzene-sulfonate.

Project description:The title compound, C(37)H(52)O(4)S, was obtained by the reaction of 6,6'-(ethane-1,1-di-yl)bis-(2,4-di-tert-butyl-phenol) and 4-methyl-benzene-1-sulfonyl chloride. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond. Two of the tert-butyl groups are disordered over two sets of sites with occupancies 0.530?(15)/0.470?(15) and 0.615?(11)/0.385?(11).

| S-EPMC2968069 | biostudies-literature

N,N'-Di-tert-butyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

Project description:In the title compound, C(15)H(24)F(2)N(3)O(2)P, the phosphoryl and carbonyl groups adopt anti positions relative to each other. The P atom is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar. In the crystal, adjacent mol-ecules are linked via N-H?O=P and N-H?O=C hydrogen bonds into an extended chain parallel to the a axis. The crystal studied was a non-merohedral twin with a minor twin component of 36.4?(1)%.

| S-EPMC3011709 | biostudies-literature

tert-Butyl N-[1-diazo-acetyl-3-(methyl-sulfan-yl)prop-yl]carbamate.

Project description:In the enanti-omerically pure title compound, C(11)H(19)N(3)O(3)S, the chain C-N-C(O)-O-C-C (from the asymmetric carbon to a methyl of the tert-butyl group) displays an extended conformation. In the crystal, mol-ecules are linked into chains parallel to the c axis by classical N-H?O(diazo-carbon-yl) hydrogen bonding and an unusual inter-molecular three-centre inter-action involving the amino acid (aa) carbonyl O(aa) and the diazo-carbonyl grouping C(O)-CH-N N, with H?O(aa) = 2.51?Å and N?O(aa) = 2.8141?(14)?Å.

| S-EPMC2970119 | biostudies-literature

2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol.

Project description:The title compound, C(22)H(31)NO, has been synthesized from 4-bromo-methyl-2,6-di-tert-butyl-phenol and N-methyl-aniline. There are two independent mol-ecules in the asymmetric unit. The aniline ring in each of the independent mol-ecules was found to be disordered, with site occupation factors 0.621?(10)/0.379?(10) and 0.605?(10)/0.395?(10).

| S-EPMC2960411 | biostudies-literature

tert-Butyl N-benzyl-N-(4-methyl-2-pyrid-yl)carbamate.

Project description:In the crystal structure of the title compound, C(18)H(22)N(2)O(2), the pyridine ring makes dihedral angles of 83.71?(6) and 9.2?(1)° with the phenyl ring and the carbamate plane, respectively. The phenyl ring and the carbamate plane are nearly perpendicular to one another, with a dihedral angle of 87.17?(7)°.

| S-EPMC2959588 | biostudies-literature

1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

| S-EPMC2971974 | biostudies-literature

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