scholarly journals Crystal structure of methyl 7-phenyl-6a,7,7a,8,9,10-hexahydro-6H,11aH-thiochromeno[3,4-b]pyrrolizine-6a-carboxylate

2015 ◽  
Vol 71 (8) ◽  
pp. o627-o628
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Site Occupancy ◽  
Chair Conformation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C22H23NO2S, the inner pyrrolidine ring (A) adopts an envelope conformation with the methine C atom opposite the fused C—N bond as the flap. The thiopyran ring (C) has a half-chair conformation and its mean plane is inclined to the fused benzene ring by 1.74 (11)°, and by 60.52 (11)° to the mean plane of pyrrolidine ringA. In the outer pyrrolidine ring (B), the C atom opposite the fused C—N bond is disordered [site-occupancy ratio = 0.427 (13):0.573 (13)] and both rings have envelope conformations, with the disordered C atom as the flap. The planes of the phenyl ring and the benzene ring of the thiochromane unit are inclined to one another by 65.52 (14)°. In the crystal, molecules are linked by a pair of C—H...O hydrogen bonds forming inversion dimers.

scholarly journals Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1059-o1060
Author(s):  
Sanae Lahmidi ◽  
Abdelhanine Essaghouani ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
The Mean ◽  
Membered Heterocycle ◽  
Supramolecular Chains

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close anS(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along thebaxis.

scholarly journals Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)ethyl]benzamide monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o39-o40 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
B. K Revathi ◽  
S. Sathya ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, molecules are linked by O—H...N, N—H...O and C—H...O hydrogen bonds involving the water molecule, forming double-stranded chains propagating along [010].

4,4-Dimethyl-2-tosyl-2,3,3a,4-tetrahydro-1H,10H-pyrrolo[3,4-c]pyrano[6,5-b]indan-10-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4438-o4438 ◽  
Author(s):  
K. Chinnakali ◽  
D. Sudha ◽  
M. Jayagopi ◽  
R. Raghunathan ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyrrolidine Ring ◽  
Face To Face ◽  
Compound C ◽  
A Chain

The molecule of the title compound, C23H23NO4S, adopts a folded conformation, with the cyclopentadienone ring and tosyl groups arranged in an almost face-to-face fashion. The pyrrolidine ring has an envelope conformation and the dihydropyran ring is in a half-chair conformation. The pyrrolidine and dihydropyran rings are cis-fused. The indenone ring system is essentially planar, and the indene plane forms a dihedral angle of 25.12 (3)° with the sulfonyl-bound benzene ring. In the crystal structure, molecules translated by one unit cell along the a-axis direction are linked into a chain by C—H...O hydrogen bonds. The inversion-related molecules of adjacent chains are linked along the c axis by C—H...O hydrogen bonds into a sheet-like structure parallel to the ac plane.

scholarly journals Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate

2015 ◽  
Vol 71 (8) ◽  
pp. o570-o571
Author(s):  
K. S. Ezhilarasi ◽  
A. Akila ◽  
S. Ponnuswamy ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Title Compound ◽  
Organic Molecules ◽  
Chair Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean

The title compound, C12H18N2·0.5H2O, crystallizes with two independent organic molecules (AandB) in the asymmetric unit, together with a water molecule of crystallization. The diazepine rings in each molecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in moleculeAand 17.42 (11)° in moleculeB. In the crystal, molecules are linked by N—H...O and O—H...N hydrogen bonds, forming zigzag chains propagating along [001].

scholarly journals (2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
U. Mohamooda Sumaya ◽  
D. Reuben Jonathan ◽  
Dravida Thendral Era ◽  
S. Gomathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Compound C ◽  
Hirshfeld Analysis ◽  
The Mean

In the title compound, C12H13Cl2NO2, the piperidine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and the benzene ring is 58.5 (3)°. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating sheets parallel to theabplane. The C atoms of the hydroxypiperidine ring are disordered over two sets of sites with refined occupancies of 0.545 (7) and 0.455 (7). The intermolecular interactions in the crystal structure were quantified using Hirshfeld surface analysis.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

scholarly journals Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1039-o1040 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Jebiti Haribabu ◽  
Ramasamy Karvembu ◽  
K. Sethusankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt ananticonformation. The chromene group is positionedtrans, whereas the cyclohexyl ring lies in thecisposition to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs. The dimers are linked by C—H...Cl hydrogen bonds, enclosingR66(44) ring motifs, forming sheets lying parallel to (010).

scholarly journals Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o142-o142
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Pyrrolidine Ring ◽  
Ring Systems ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C23H22N2O4S, the pyrrolidine ring has an envelope conformation with the spiro C atom, shared with the indoline ring system, as the flap. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 88.81 (8) and 79.48 (8)°, respectively, and to each other by 68.12 (5)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains propagating along [001].

scholarly journals 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone

2013 ◽  
Vol 69 (11) ◽  
pp. o1671-o1671 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C ◽  
Acetyl Group ◽  
The Mean

In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7 (1)°. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming chains propagating along [010].

scholarly journals Crystal structure oftrans-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane

2015 ◽  
Vol 71 (8) ◽  
pp. o629-o630
Author(s):  
Sreevidya Thekku Veedu ◽  
Simone Techert
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twin Domain ◽  
Compound C ◽  
The Mean

The title compound, C34H37N, is a pyrene derivative in which the pyrene ring system is linked to an ethylcyclohexane unit which, in turn, carries a [4-(dimethylamino)phenyl]ethyl substituent in theparaposition. The central cyclohexane ring has a chair conformation, with the exocyclic C—C bonds in equatorial orientations. The benzene ring is inclined to the mean plane of the pyrene ring system [maximum deviation = 0.038 (4) Å] by 14.84 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming chains propagating along [010]. The crystal was refined as a non-merohedral twin [domain ratio = 0.9989 (4):0.0011 (4)].

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