scholarly journals (4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine

2014 ◽  
Vol 70 (4) ◽  
pp. o500-o500
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
H.S. Yathirajan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Chair Conformation ◽  
Torsion Angles ◽  
Piperazine Ring ◽  
Compound C ◽  
Weak Intermolecular Interactions ◽  
Methoxy Groups ◽  
Methoxy Substituent ◽  
The Mean

In the title compound, C15H23N3O3, the piperazine ring is in a slightly distorted chair conformation and is twisted from the mean plane of the benzene ring making a dihedral angle of 14.94 (6)°. The 4-methoxy substituent is almost co-planar with the benzene ring [C—C—O—C torsion angle = 5.4 (1)°], while the methoxy groups at positions 2 and 3 [C—C—O—C torsion angles of 122.6 (4) and −66.1 (4)°, respectively] are twisted away from the mean plane of the benzene ring in anticlinical and synclinical conformations, respectively. No classical hydrogen bonds or any weak intermolecular interactions are observed in the crystal structure.

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 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)].

scholarly journals Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone

2020 ◽  
Vol 76 (4) ◽  
pp. 534-538
Author(s):  
J. Srividya ◽  
D. Reuben Jonathan ◽  
B. K. Revathi ◽  
M. Divya Bharathi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Supramolecular Network ◽  
Compound C ◽  
The Mean

The title compound, C13H16ClNO, contains a methylpiperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89 (7)° with that of the benzene ring. In the crystal, weak C—H...O interactions link the molecules along the a-axis direction to form infinite molecular chains. H...H interatomic interactions, C—H...O intermolecular interactions and weak dispersive forces stabilize molecular packing and form a supramolecular network, as established by Hirshfeld surface analysis.

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 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 4-Methyl-N-(4-nitrobenzylidene)piperazin-1-amine

2013 ◽  
Vol 69 (11) ◽  
pp. o1687-o1688 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H.S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Nitro Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C12H16N4O2, the piperazine ring is in a slightly distorted chair conformation. In the molecule, the mean plane of the nitro group is twisted by 8.0 (3)° from that of the benzene ring. Also, the mean plane of the 2-nitrobenzyl ring is twisted slightly from that of the piperazine ring, with an N—N=C—C torsion angle of −176.24 (11)°. In the crystal, pairs of weak C—H...O interactions link the molecules into dimers approximately along [010].

scholarly journals 1-Tosyl-4-[2-(trifluoromethyl)benzyl]piperazine

2013 ◽  
Vol 69 (2) ◽  
pp. o239-o239 ◽  
Author(s):  
S. Sreenivasa ◽  
H. C. Anitha ◽  
K. E. ManojKumar ◽  
J. Tonannavar ◽  
Yenagi Jayashree ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Piperazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the crystal structure of the title compound, C19H21F3N2O2S, the piperazine ring adopts a chair conformation. The dihedral angles between the mean plane of the piperazine ring and the tosyl and trifluoromethylphenyl rings are 74.52 (3) and 68.30 (2)°, respectively. The sulfonamide N atom deviates from the plane defined by the three attached atoms by 0.327 (1) Å. The crystal structure is stabilized by weak C—H...π interactions.

scholarly journals Crystal structure of (E)-3-(2,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1034-o1035 ◽  
Author(s):  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Torsion Angles ◽  
Compound C ◽  
Methoxy Groups

In the title compound, C21H18O4, the C=C bond of the central enone group adopts anEconformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 6.60 (2)°. The methoxy groups on the benzene ring are essentially coplanar with the ring; the C—C—O—C torsion angles being 1.6 (2) and −177.1 (1)°. The hydroxy group attached to the naphthalene ring is involved in an intramolecular O—H...O hydrogen bond. The relative conformation of the two double bonds in the enone group iss-cisoid. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains propagating along [010].

scholarly journals Crystal structure of (R)-6′-bromo-3,3-dimethyl-3′,4′-dihydro-2′H-spiro[cyclohexane-1,3′-1,2,4-benzothiadiazine] 1′,1′-dioxide

2014 ◽  
Vol 70 (11) ◽  
pp. 359-361
Author(s):  
P. P. Shinoj Kumar ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Benzene Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean ◽  
Graph Set ◽  
Ring Motif

In the title compound, C14H19BrN2O2S, the 1,2,4-thiadiazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thiadiazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively. Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thiadiazinane ring is 4.91 (18)°. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which encloses anS(6) ring motif. In the crystal, molecules are linked by N—H...O hydrogen bonds into chains along [10-1], forming aC(6) graph-set motif. These chains are interconnectedviaC—H...π interactions, leading to chains along [-101], so finally forming sheets parallel to (010).

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