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

ABSTRACT: 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.

SUBMITTER: Crosse CM

PROVIDER: S-EPMC2979824 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Crosse Chelsey M CM Kelly Emily C EC Logue Marshall W MW Luck Rudy L RL Maass John S JS Mehne Katlyn C KC Pignotti Louis R LR

Acta crystallographica. Section E, Structure reports online 20100130 Pt 2

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 ato ...[more]

PMID: 21579898

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

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| S-EPMC2979969 | biostudies-literature

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.

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Crystal structure of (tert-butyl-carbamo-yl)(4-chloro-2-oxo-2H-chromen-3-yl)methyl acetate.

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Methyl 2-[2-(6-chloro-pyrimidin-4-yl-oxy)phen-yl]-3,3-dimethoxy-propanoate.

Project description:In the title compound, C(16)H(17)ClN(2)O(5), the dihedral angle between the aromatic rings is 77.36 (4)°. An intra-molecular C-H⋯O inter-action results in the formation of a planar [r.m.s. deviation = 0.103 (2) Å] five-membered ring, which is oriented at a dihedral angle of 4.84 (4)° with respect to the adjacent benzene ring. In the crystal structure, weak intermolecular C-H⋯π inter-actions are found.

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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

2-tert-Butyl-6-[(4-chloro-2-nitro-phen-yl)diazen-yl]-4-methylphenol.

Project description:In the title compound, C(17)H(18)ClN(3)O(3), the dihedral angle between the planes of the two benzene rings is 1.03?(7)°. The overall conformation of the mol-ecule is influenced, in part, by electron delocalization and by an intra-molecular bifurcated O-H?(O,N) hydrogen bonds. The O atoms of the nitro group, one of which serves as an H bond acceptor, are disordered over two sets of sites with refined occupancies of 0.56?(3) and 0.44?(3).

| S-EPMC2969205 | biostudies-literature

Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

Project description:The crystal structures and Hirshfeld surface analyses of four similar azo compounds are reported. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, C18H18Cl2N2, (I), and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, C19H20Cl2N2, (II), crystallize in the monoclinic space group C2/c with Z = 8, and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene, C19H20Cl2N2O, (III), in the monoclinic space group P21/c with Z = 4. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene, C19H20Cl2N2, (IV), crystallizes in the triclinic space group P with Z = 4 and comprises two mol-ecules (A and B) in the asymmetric unit. In the crystal structures of (I) and (II), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming layers parallel to (02), while mol-ecules of (III) are linked by C-H⋯O contacts, C-H⋯π and C-Cl⋯π inter-actions forming layers parallel to (02). The stability of the mol-ecular packing is ensured by van der Waals forces between these layers. In the crystal structure of (IV), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming a tri-periodic network.

| S-EPMC10439426 | biostudies-literature

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