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Ethyl 2-[4-(2-chloro-benzo-yl)-2,6-di-methyl-phen-oxy]ethano-ate.

ABSTRACT: The asymmetric unit of the title compound, C(19)H(19)ClO(4), contains two independent mol-ecules. The dihedral angles between the benzene rings are 63.41?(8) and 61.41?(9)°. Adjacent mol-ecules of different types are inter-connected in pairs through ?-? inter-actions between their central benzene rings [centroid-centroid separation = 3.801?(2)?Å, inter-planar spacing = 3.605?(2)?Å, centroid shift = 1.204?(2)?Å]. Finally, C-H?O hydrogen bonds link these dimers into bilayers parallel to (100).

SUBMITTER: Prashanth T

PROVIDER: S-EPMC3414350 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Ethyl 2-[4-(2-chloro-benzo-yl)-2,6-di-methyl-phen-oxy]ethano-ate.

Prashanth T T Ranganatha V Lakshmi VL Usha M K MK Khanum Shaukath Ara SA Revannasiddaiah D D Anthal Sumati S Kant Rajni R Gupta Vivek K VK

Acta crystallographica. Section E, Structure reports online 20120714 Pt 8

The asymmetric unit of the title compound, C(19)H(19)ClO(4), contains two independent mol-ecules. The dihedral angles between the benzene rings are 63.41 (8) and 61.41 (9)°. Adjacent mol-ecules of different types are inter-connected in pairs through π-π inter-actions between their central benzene rings [centroid-centroid separation = 3.801 (2) Å, inter-planar spacing = 3.605 (2) Å, centroid shift = 1.204 (2) Å]. Finally, C-H⋯O hydrogen bonds link these dimers into bilayers parallel to (100). ...[more]

PMID: 22904883

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Ethyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

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Crystal structure of ethyl 4-(2,4-di-chloro-phen-yl)-2-methyl-4H-benzo[4,5]thia-zolo[3,2-a]pyrimidine-3-carboxyl-ate.

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Ethyl 2,6-bis-(4-chloro-phen-yl)-4-(4-methyl-anilino)-1-(4-methyl-phen-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

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Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

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