scholarly journals Crystal structures of two substituted thiazolidine derivatives

2016 ◽  
Vol 72 (8) ◽  
pp. 1126-1129
Author(s):  
Vijayan Viswanathan ◽  
Naga Siva Rao ◽  
Raghavachary Raghunathan ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Ring System ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Twist Conformation ◽  
The Mean ◽  
Thiazolidine Ring ◽  
Ring Motif

In the first of the compounds reported herein, namely 6′-ferrocenyl-6a′-nitro-6′,6a′,6b′,7′,9′,11a′-hexahydro-2H-spiro[acenaphthylene-1,11′-chromeno[3′,4′:3,4]pyrrolo[1,2-c]thiazol]-2-one, [Fe(C5H5)(C29H21N2O4S)], (I), the thiazolidine ring adopts a twist conformation on the methine N—C atoms. In the second compound,viz.6′-(4-methoxyphenyl)-6a′-nitro-6′,6a′,6b′,7′,9′,11a′-hexahydro-2H-spiro[acenaphthylene-1,11′-chromeno[3′,4′:3,4]pyrrolo[1,2-c]thiazol]-2-one, [Fe(C5H5)(C26H19N2O5S)], (II), the thiazolidine ring adopts an envelope conformation with a methine C atom as the flap. In both compounds, the pyrrolidine ring adopts a twist conformation on the thiazolidine and tetrahydropyran C atoms. The mean planes of the thiazolidine and pyrrolidine rings subtend angles of 67.30 (1) and 62.95 (7)° in (I) and (II), respectively, while the mean plane of the pyrrolidine ring makes dihedral angles of 76.53 (1) and 87.74 (7)° with the acenaphthylene ring system in (I) and (II), respectively. In both compounds, an intramolecular C—H...O hydrogen bond forms anS(7) ring motif. In the crystal of (I), molecules are linkedviatwo different C—H...O hydrogen bonds, forming chains along [001] and [100]. In (II), they are linked through C—H...O hydrogen bonds, forming dimers with anR22(10) ring motif while C—H...π interactions link the molecules in a head-to-tail fashion, forming chains along thea-axis direction.

scholarly journals 15-(4-Chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1′,8′:1,2,3]pyrrolo[3′,2′:8,8a]azuleno[5,6-b]quinolin-14(15H)-one methanol hemisolvate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
J. M. Joseph ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Solvent Molecule ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Naphthalene Ring ◽  
Pyrrolidine Ring ◽  
Twist Conformation ◽  
Cyclopentane Ring ◽  
The Mean ◽  
Ring Motif

In the title solvate, C35H25ClN2O3·0.5CH3OH, the conformation of the central 1-methylpyrrolidine ring is best described as an envelope with the N atom as the flap. The cyclopentane ring adopts a twist conformation on the CH—CH2bond and the cyclohexane ring has an envelope conformation with the CH2atom as the flap. The pyrrolidine ring makes dihedral angles of 40.87 (12), 67.89 (11), 81.86 (9) and 70.86 (12)° with the mean planes of the cyclopentane, cyclohexane, acenaphthylene and chlorobenzene rings, respectively. The quinoline ring system is inclined to the naphthalene ring system by 54.14 (6)°. There is a short O—H...N contact in the molecule making anS(5) ring motif. In the crystal, there is a disordered and partially occupied ethan-1,2-diol solvent molecule present, located about an inversion centre, which links the title moleculesviaO—H...O and C—H...O hydrogen bonds, forming chains propagating along thea-axis direction.

scholarly journals 6b-Hydroxy-17-methyl-15-(3-nitrophenyl)-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1′,8′:1,2,3]pyrrolo[3′,2′:8,8a]azuleno[5,6-b]quinolin-14(15H)-one dichloromethane hemisolvate

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
J. M. Joseph ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Pyrrolidine Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Twist Conformation ◽  
Cyclopentane Ring ◽  
The Mean ◽  
Ring Motif

In the title compound, C34H25N3O4·0.5CH2Cl2, which crystallized as a dichloromethane hemisolvate, the central 1-methylpyrrolidine ring adopts an envelope conformation with the N atom as the flap. The cyclopentane ring adopts a twist conformation on the CH—CH2bond and the cyclohexane ring has an envelope conformation with the CH2atom as the flap. The pyrrolidine ring mean plane makes dihedral angles of 40.09 (11), 69.21 (10) and 80.88 (8)° with the mean planes of the cyclopentane, cyclohexane and acenaphthylene rings, respectively. The 3-nitrobenzene ring is inclined to the acenaphthylene and quinoline ring systems by 69.32 (8) and 82.07 (7)°, respectively. There is an intramolecular O—H...N hydrogen bond present forming anS(5) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming sheets lying parallel to theabplane, which encloseR22(18),R22(14),R22(12) andR22(16) ring motifs.

scholarly journals Methyl 4′-(3-bromophenyl)-3′-(2,5-dimethylbenzyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o299-o300 ◽  
Author(s):  
S. Karthikeyan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Two Dimensional ◽  
Indole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C29H29BrN2O3, the indole ring system is essentially planar (r.m.s. deviation = 0.079 Å) and makes a dihedral angle of 85.23 (10)° with the mean plane of the 4-methylpyrrolidine ring. This ring adopts an envelope conformation with the N atom at the flap. The pyrrolidine ring of the indole ring system adopts a twisted conformation on the C—C(=O) bond. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. These dimers are further linked by N—H...O and C—H...O hydrogen bonds, forming two-dimensional networks lying parallel to (10-1).

scholarly journals Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o148-o149
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Thiazole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C23H20N2O4S2, the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring system, as the flap. The thiazole ring has a twisted conformation on the S—C bond, where the C atom is that closest to methine C atom. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the central pyrrolidine ring by 82.75 (8) and 80.03 (8)°, respectively, and to each other by 61.49 (6)°. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O and C—H...N hydrogen bonds, forming a three-dimensional structure. The ethoxycarbonyl group is disordered over two orientations, with an occupancy ratio of 0.717 (12):0.283 (12).

scholarly journals 1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1267-o1267 ◽  
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Nur Farhana Embong ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. In each molecule, the butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in each butanoylthiourea unit. In the crystal, N—H...O hydrogen bonds link the two independent molecules together, forming anR22(12) ring motif. The molecules are further connected into a tape along thecaxisviaN—H...S and C—H...S hydrogen bonds.

scholarly journals Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

2015 ◽  
Vol 71 (11) ◽  
pp. o872-o872
Author(s):  
Marie-Luis Schirmer ◽  
Anke Spannenberg ◽  
Thomas Werner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Wittig Reaction ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

scholarly journals Crystal structure of 5′′-(4-chlorobenzylidene)-4′-(4-chlorophenyl)-1′-methyltrispiro[acenapthylene-1,2′-pyrrolidine-3′,1′′-cyclohexane-3′′,2′′′-[1,3]dioxane]-2(1H),6′′-dione

2015 ◽  
Vol 71 (11) ◽  
pp. o814-o815 ◽  
Author(s):  
Kuppan Chandralekha ◽  
Deivasigamani Gavaskar ◽  
Adukamparai Rajukrishnan Sureshbabu ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Membered Ring ◽  
Boat Conformation ◽  
Pyrrolidine Ring ◽  
Hydrogen Bond Interaction ◽  
Compound C ◽  
Twist Conformation

In the title compound, C36H29Cl2NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the acenaphthylene and cyclohexanone rings. The cyclohexanone ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the acenaphthylen-1-one ring system adopts a flattened envelope conformation, with the ketonic C atom as the flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclohexenone ring assumes a boat conformation. An intramolecular C—H...O hydrogen-bond interaction is present. In the crystal, molecules are linked by non-classical C—H...O hydrogen bonds, forming chains extending parallel to theaaxis.

scholarly journals Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(pyrazin-2-yl)acetamide

2018 ◽  
Vol 74 (5) ◽  
pp. 718-723
Author(s):  
Manisha Choudhury ◽  
Vijayan Viswanathan ◽  
Ajay Kumar Timiri ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Supramolecular Structure ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Ring Motif

In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the diaminopyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH2–C(=O)–NH– lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intramolecular N—H...N hydrogen bond forming anS(7) ring motif and a short C—H...O interaction forming anS(6) loop. In the crystals of both compounds, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers withR22(8) ring motifs. In (I), the dimers are linked by N—H...O and N—H...N hydrogen bonds, forming layers parallel to (1\overline{1}\overline{1}). The layers are linked by offset π–π interactions [intercentroid distance = 3.777 (1) Å], forming a three-dimensional supramolecular structure. In (II), the dimers are linked by N—H...O, N—H...N and C—H...O hydrogen bonds, also forming a three-dimensional supramolecular structure.

scholarly journals Crystal structures of threeN-(3-acetylphenyl)quinoline-2-carboxamides

2017 ◽  
Vol 73 (6) ◽  
pp. 804-808
Author(s):  
Diana Peña-Solórzano ◽  
Burkhard König ◽  
Cesar A. Sierra ◽  
Cristian Ochoa-Puentes
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Ring System ◽  
Molecular Structures ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Π Interactions ◽  
Bond Forming

In the title compounds,N-(5-acetyl-2-methylphenyl)quinoline-2-carboxamide [C19H16N2O2, (I)],N-(5-acetyl-2-bromophenyl)quinoline-2-carboxamide [C18H13BrN2O2, (II)] andN-(5-acetyl-2-ethynylphenyl)quinoline-2-carboxamide [C20H14N2O2, (III)], the quinoline ring system is essentially planar and forms a dihedral angles of 3.68 (5) (I), 5.59 (7) (II) and 1.87 (6)° (III) with the acetyl-substituted ring. The molecular structures of (I) and (III) each feature an intramolecular N—H...N hydrogen bond, forming anS(5) ring, while in (II) an intramolecular bifurcated N—H...(N,Br) hydrogen bond forms twoS(5) rings. In the crystals, weak C—H...O hydrogen bonds link molecules of (I) intoC(7) chains long [010], molecules of (II) into chains ofR22(8) rings along [110] and molecules of (III) intoC(8) chains along [010]. In (I), there are no significant π–π stacking interactions under 4 Å, but in both (II) and (III), π–π interactions link the weak hydrogen-bonded chains into layers parallel to (001) [centroid–centroid disttances of 3.748 (1) Å in (II) and 3.577 (1), 3.784 (1) and 3.780 (1) Å in (III)].

scholarly journals 7′-Phenyl-1′,3′,5′,6′,7′,7a'-hexahydrodipiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole-6′,2′′-indane]-2,1′′(1H)-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o1265-o1266 ◽  
Author(s):  
Ang Chee Wei ◽  
Mohamed Ashraf Ali ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Thiazolidine Ring

In the title compound, C31H23NO2S, the pyrrolidine ring adopts an envelope conformation (with the spiro C atom as the flap), while the thiazolidine ring and the two cyclopentane rings adopt twisted conformations. The mean plane through the hexahydropyrrolo[1,2-c]thiazole ring [r.m.s deviation = 0.400 (1) Å] forms dihedral angles of 76.83 (4), 80.70 (5) and 79.00 (4)° with the benzene ring and the mean planes of the dihydroacenaphthylene and the dihydroindene rings, respectively. In the crystal, molecules are linked by C—H...O hydrogen bonds into sheets lying parallel to thebcplane. One of the ketone O atoms accepts three such bonds. Weak C—H...π interactions are also observed.

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