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Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-di-hydro-1H-indol-3-ylidene)acetate.

ABSTRACT: The title compound, C12H10ClNO3, the indoline ring system is essentially planar, with a maximum deviation of 0.009?Å for the N atom. The indoline ring and acetate group are essentially coplanar, with a maximum deviation of 0.086?Å for the O atom. The mean plane through the methoxy-carbonyl-methyl group forms a dihedral angle of 3.68?(5)° with the plane of the indoline ring system. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen-bond inter-action. In the crystal, ?-? stacking inter-actions [centroid-centroid distance = 3.7677?(8)?Å] occur between benzene rings, forming a chain running along the c-axis direction.

SUBMITTER: Kannan PS

PROVIDER: S-EPMC3684938 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

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Methyl 3'-benzyl-4'-(2,4-di-chloro-phen-yl)-1'-methyl-2-oxo-spiro-[indoline-3,2'-pyrrolidine]-3'-carboxyl-ate.

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Crystal structure of ethyl 2-cyano-3-[(1-eth-oxy-ethyl-idene)amino]-5-(3-meth-oxy-phen-yl)-7-methyl-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C22H24N4O4S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358?(6)?Å from the mean plane of the remaining ring atoms. The 3-meth-oxy-phenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thia-zolo-pyrimidine ring with a dihedral angle of 83.88?(7)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0034?Å). In the crystal, pairs of weak C-H?O hydrogen bonds link mol-ecules related by twofold rotation axes to form R 2 (2)(8) rings, which in turn are linked by weak C-H?N inter-actions, forming ribbons along [-110]. In addition, ?-? stacking inter-actions [centroid-centroid distance = 3.5744?(15)?Å] connect the ribbons, forming slabs lying parallel to (001).

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Ethyl 2-(2-acetoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177?(2)?Å], are essentially planar [r.m.s deviation = 0.100?(2) °] and the mean plane of these atoms forms dihedral angles of 89.86?(10) and 7.97?(8)° with the phenyl and benzene rings, respectively. In the crystal, co-operative C-H?O and C-H?? inter-actions lead to a supra-molecular chain along the a axis. These chains are connected via ?-? inter-actions [centroid-centroid = 3.7523?(13)?Å].

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Project description:In the title compound, C10H6O4, also known as 3-carb-oxy-chromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057?Å), with the maximum deviation from their least-squares plane [0.011?(2)?Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carb-oxy group is 3.06?(2)°. An intra-molecular hydrogen bond is formed between the ring carbonyl O atom and the carb-oxy O-H atom, closing an S(6) loop. In the crystal, mol-ecules are assembled by stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.844?(3)?Å] and C-H?O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carb-oxy O and C atoms [C=O?C=O = 3.002?(3)?Å].

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1000-01-01 | S-EPMC3379333 | BioStudies

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