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Ethyl {6-[6-(ethoxy-carbon-yl)picolin-amido-carbon-yl]picolinamido-carbon-yl}picolinate.

ABSTRACT: The title mol-ecule, C(25)H(21)N(5)O(8), adopts a helical conformation, which is stabilized by two intra-molecular bifurcated N-H⋯(N,N) hydrogen bonds.

SUBMITTER: Li X

PROVIDER: S-EPMC2967965 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 5-(ethoxy-carbon-yl)-3-(4-methoxy-phen-yl)-1H-pyrazole-1-acetate.

Project description:In the title compound, C(17)H(20)N(2)O(5), all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98?(11)°. The mol-ecules are linked by inter-molecular C-H?? inter-actions.

| S-EPMC2915022 | biostudies-literature

4-[3,5-Bis(ethoxy-carbon-yl)-2,6-dimethyl-4-pyrid-yl]pyridinium nitrate.

Project description:In the title mol-ecular salt, C(18)H(21)N(2)O(4) (+)·NO(3) (-), the dihedral angle between the two pyridine rings is 61.24?(8)°. In the crystal, the cation and anion are linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2979292 | biostudies-literature

Triclinic modification of N-[(1,1-di-methyl-ethoxy)carbon-yl]-3-[(R)-prop-2-en-1-ylsulfin-yl]-(R)-alanine ethyl ester at 120?(1) K.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(23)NO(5)S. In the crystal structure, inter-molecular N-H?O hydrogen bonds link mol-ecules into two independent one-dimensional chains along [100]. The crystal studied was found to be a non-merohedral twin with a ratio of 0.615?(6):0.385?(1) for the refined components. At 200?(1)?K [Singh et al. (2009 ?). Acta Cryst. E65, o1385-o1386] the crystal structure of the title compound contains one disordered mol-ecule in the asymmetric unit of a monoclinic unit cell.

| S-EPMC2969554 | biostudies-literature

Ethyl 4-(4-bromo-phen-yl)-6-(4-ethoxy-phen-yl)-2-oxocyclo-hex-3-enecarboxyl-ate.

Project description:The title compound, C(23)H(23)BrO(4), is an inter-mediate in the synthesis of fused heterocycles. In the title mol-ecule, the cyclo-hexene ring has a distorted half-chair conformation. The bromo-phenyl ring and the mean plane of the cyclo-hexene ring form a dihedral angle of 13.8?(3)°, whereas the benzene and cyclo-hexene rings are approximately perpendicular [88.44?(17)°]. There are only weak C-H?O and C-H?? inter-molecular inter-actions.

| S-EPMC2968510 | biostudies-literature

Ethyl 6-(4-ethoxy-phen-yl)-4-(furan-2-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate.

Project description:The title compound, C(21)H(22)O(5), was prepared by NaOH-catalysed cyclo-condensation of 3-(4-ethoxy-phen-yl)-1-(furan-2-yl)prop-2-en-1-one with ethyl acetoacetate. In the crystal, C-H⋯O and C-H⋯π inter-actions link the mol-ecules. In the title mol-ecule, the furan and cyclo-hexene rings are almost parallel [6.77 (11)°] and the cyclo-hexene ring is approximately perpendicular to the benzene ring [84.79 (5)°].

| S-EPMC2967980 | biostudies-literature

Ethyl 3-[(3,5-dimethyl-phen-yl)amino-carbon-yl]propanoate.

Project description:The non-H atoms in the title compound, C(14)H(19)NO(3), lie on a mirror plane. The amide O and ester carbonyl O atoms are trans to each other. Furthermore, the C=O and O-CH(2) bonds of the ester group are syn with respect to each other. In the crystal, mol-ecules are packed into centrosymmetric dimers through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977476 | biostudies-literature

3-[(4-Amino-5-chloro-2-ethoxy-benz-amido)meth-yl]pyrrolo[2,1-c][1,4]oxazin-5-ium chloride monohydrate.

Project description:The title compound, C(17)H(25)ClN(3)O(3) (+)·Cl(-)·H(2)O, is a monohydrated hydro-chloride salt of a new derivative of mosapride, which is a pharmaceutical compound possessing gastrointestinal pro-kinetic activity. The chloride anion accepts hydrogen bonds from the NH group of the pyrrolooxazine fused-ring system and from the amine group, and the water mol-ecules form hydrogen bonds that bridge between the chloride anion and the C=O bond of the amide.

| S-EPMC2967935 | biostudies-literature

Methyl 3-[3-(ethoxy-carbon-yl)thio-ureido]-1H-pyrazole-5-carboxyl-ate.

Project description:The title compound, C(9)H(12)N(4)O(4)S, was proven to be the product of the reaction of methyl 5-amino-1H-pyrazole-3-carboxyl-ate with ethyl isothio-cyanato-carbonate. All non-H atoms of the mol-ecule are planar, the mean deviation from the least squares plane being 0.048?Å. The intra-molecular N-H?O bond involving the NH-group, which links the thio-urea and pyrazole fragments, closes a six-membered pseudo-heterocyclic ring, and two more hydrogen bonds (N-H?O with the participation of the pyrazole NH group and N-H?S involving the second thio-urea NH group) link the mol-ecules into infinite chains running along [10].

| S-EPMC2969634 | biostudies-literature

Ethyl N-[(benz-yloxy)thio-carbon-yl]carbamate.

Project description:In the title compound, C(11)H(13)NO(3)S, the dihedral angle between the benzyl and carbamate groups is 12.67 (10)°. The S atom and the carbonyl O atom are positioned anti to each other. In the crystal, pairs of N-H⋯S hydrogen bonds link mol-ecules into inversion dimers.

| S-EPMC3274993 | biostudies-literature

tert-Butyl 3-[2,2-bis-(ethoxy-carbon-yl)vin-yl]-2-bromo-methyl-1H-indole-1-carboxyl-ate.

Project description:In the title compound, C(22)H(26)BrNO(6), the indole ring system is planar [maximum deviation 0.029?(2)?Å]. The tert-butyl bound carboxyl-ate group forms a dihedral angle of 17.54?(8)° with the indole ring system. In the crystal, mol-ecules are linked into centrosymmetric R(2) (2)(10) dimers by paired C-H?O hydrogen bonds.

| S-EPMC2971097 | biostudies-literature

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