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 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 Crystal structure of 15-(2-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

2015 ◽  
Vol 71 (12) ◽  
pp. o1091-o1092 ◽  
Author(s):  
J. M. Joseph ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C34H25ClN2O2, the fused pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The two adjacent cyclopentane rings also adopt envelope conformations. The mean plane of the pyrrolidine ring makes dihedral angles of 40.53 (10) and 80.23 (10)° with the mean planes of the cyclopentane rings. The dihedral angle between the mean planes of the cyclopentane rings is 46.71 (9)°. An intramolecular O—H...N hydrogen bond is observed. In the crystal, molecules are linked by C—H...O, C—H...N and C—H...π interactions, forming a layer parallel to (10-2).

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 Crystal structure ofN-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide

2015 ◽  
Vol 71 (11) ◽  
pp. o820-o821
Author(s):  
G. Vimala ◽  
J. Haribabu ◽  
S. Srividya ◽  
R. Karvembu ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C16H22N2O2S, contains two crystallographically independent molecules (AandB). In moleculeA, the cyclohexane ring is disordered over two orientations [occupancy ratio 0.841 (10):0.159 (10)]. In each molecule, the central carbonyl thiourea unit is nearly planar (r.m.s. deviations for all non-H atoms of 0.034 Å in moleculeAand 0.094 Å in moleculeB). In both molecules, the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring makes dihedral angles of 35.8 (4) (moleculeA) and 20.7 (3)° (moleculeB) with that of the benzene ring. Each molecule features an intramolecular N—H...O hydrogen bond, which closes anS(6) ring motif. In the crystal, molecules are linkedviapairs of weak N—H...S interactions, forming inversion dimers with anR22(8) ring motif for both molecules. The crystal structure also features weak C—H...π ring interactions.

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 1-{4-hydroxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-3-phenylprop-2-en-1-one

2016 ◽  
Vol 72 (5) ◽  
pp. 696-698
Author(s):  
Abdullah Aydın ◽  
Mehmet Akkurt ◽  
Halise Inci Gul ◽  
Kadir Ozden Yerdelen ◽  
Raziye Catak Celik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Methyl Phenyl

In the title compound, C20H21NO2, the pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The central benzene ring makes dihedral angles of 21.39 (10) and 80.10 (15)° with the phenyl ring and the mean plane of the pyrrolidine ring, respectively. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. A weak C—H...π interaction is observed in the crystal.

scholarly journals 1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Moha Taourirte ◽  
Jean-Claude Daran ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Essential Oil ◽  
Nitro Group ◽  
Title Compound ◽  
Dihedral Angles ◽  
Isopropyl Group ◽  
Compound C ◽  
Acetyl Group ◽  
The Mean ◽  
Ring Motif

The title compound, C17H19NO3, was synthesized in three steps from a mixture of α-, β- and γ-himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica). The dihedral angle between the two rings of the naphthalene moiety is 2.54 (5)°. The nitro group and the acetyl group lie almost normal to the mean plane of the naphthalene moiety, making dihedral angles of 80.29 (13) and 83.01 (15)°, respectively, and are inclined to one another by 13.23 (19)°. There is an intramolecular C—H...O hydrogen bond present involving a nitro O atom and the H atom of the methine C atom of the isopropyl group, forming an S(6) ring motif. In the crystal, molecules are linked by pairs of C—H...π interactions, forming inversion dimers. There are no other significant intermolecular interactions present.

scholarly journals Pyrrolidinium-2-carboxylate–4-nitrophenol (1/2)

2013 ◽  
Vol 69 (11) ◽  
pp. o1723-o1723 ◽  
Author(s):  
Narayanan Swarna Sowmya ◽  
Yechuri Vidyalakshmi ◽  
Sadasivam Sampathkrishnan ◽  
Thothadri Srinivasan ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C5H9NO2·2C6H5NO3, the pyrrolidine ring of the pyrrolidinium-2-carboxylate zwitterion adopts a twisted conformation on the –CH2—CH2– bond adjacent to the N atom. The mean plane of this pyrrolidine ring forms dihedral angles of 25.3 (3) and 32.1 (3)° with the two nitrophenol rings. An intramolecular N—H...O hydrogen bond occurs in the pyrrolidinium-2-carboxylate molecule. In the crystal, molecules are linkedviaO—H...O and N—H...O hydrogen bonds, enclosingR32(8) ring motifs, forming chains running parallel to theaaxis. These chains are further cross-linked by O—H...O and C—H...O hydrogen bonds, forming undulating two-dimensional networks lying parallel to (001).

scholarly journals N-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1665-o1665 ◽  
Author(s):  
Hazem A. Ghabbour ◽  
Adnan A. Kadi ◽  
Hussein I. El-Subbagh ◽  
Tze Shyang Chia ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Ring Motif

In the title compound, C18H22BrN3OS, the piperidine ring adopts a chair conformation. The mean plane of the thiazole ring forms dihedral angles of 23.97 (10) and 75.82 (10)° with the mean planes of its adjacent benzene and piperidine rings, respectively. An intramolecular N—H...N hydrogen bond generates an S(7) ring motif in the molecule. In the crystal, no significant intermoelcular hydrogen bonds are observed, but a weak π–π interaction with a centroid–centroid distance of 3.8855 (13) Å occurs.

scholarly journals Crystal structure of (±)-(7RS,8SR)-7-methyl-1,4-dioxaspiro[4.5]decane-7,8-diol

2015 ◽  
Vol 71 (10) ◽  
pp. 1181-1184
Author(s):  
Takeshi Oishi ◽  
Hiroaki Yamamoto ◽  
Tomoya Sugai ◽  
Keisuke Fukaya ◽  
Yu Yamaguchi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydroxy Group ◽  
Cyclic Ether ◽  
Axial Position ◽  
Zigzag Chain ◽  
Compound C ◽  
Twist Conformation ◽  
The Mean ◽  
Ring Motif

In the title compound, C9H16O4, the five-membered dioxolane ring adopts a twist conformation; two adjacent C atoms deviate alternately from the mean plane of other atoms by −0.297 (4) and 0.288 (4) Å. The spiro-fused cyclohexane ring shows a chair form. The hydroxy group substituted in an axial position makes an intramolecular O—H...O hydrogen bond with one of the O atoms in the cyclic ether, forming anS(6) ring motif. In the crystal, the O—H...O hydrogen bond involving the equatorial hydroxy group connects the molecules into a zigzag chain with aC(5) motif running along thecaxis.

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