scholarly journals 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o164-o164 ◽  
Author(s):  
Muhammad Shafiq ◽  
M. Nawaz Tahir ◽  
William T. A. Harrison ◽  
Iftikhar Hussain Bukhari ◽  
Islam Ullah Khan
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
Thiazine Ring ◽  
The Mean

In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N—N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C—H...O interactions link the molecules intoC(10) [010] chains. A weak C—H...π interaction is also observed.

scholarly journals 1-Ethyl-4-{2-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o200-o200
Author(s):  
Muhammad Shafiq ◽  
M. Nawaz Tahir ◽  
William T. A. Harrison ◽  
Tanveer Hussain Bokhari ◽  
Muhammad Safder
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
Thiazine Ring ◽  
The Mean

In the title compound, C19H21N3O2S, the dihedral angle between the aromatic rings is 6.7 (2)° and the C=N—N=C torsion angle is 178.0 (2)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.802 (2) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.022 Å). In the crystal, molecules are linked by C—H...O interactions, generatingC(5) chains propagating in [010]. A weak C—H...π interaction is also observed.

scholarly journals (1S,2R)-1-[(E)-(Thiophen-2-ylmethylidene)amino]indan-2-ol

2012 ◽  
Vol 68 (8) ◽  
pp. o2568-o2568
Author(s):  
Min Jeong Go ◽  
Ka Hyun Park ◽  
Hwi Hyun Lee ◽  
Junseong Lee
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Ring System ◽  
Compound C ◽  
The Mean ◽  
Imine Bond

In the title compound, C14H13NOS, the dihedral angle formed by the mean planes through the indane ring system and the thiophene ring is 85.04 (11)°. The imine bond is located in the thiophene plane [the S—C—C—N torsion angle is 0.00 (3)°] and an intramolecular O—H...N hydrogen bond is observed.

3-(Trifluoromethyl)anilinium 2-carboxy-4,5-dichlorobenzoate

2007 ◽  
Vol 63 (11) ◽  
pp. o4374-o4375 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
A Chain

The crystal structure of the title compound, C7H7F3N+·C8H3Cl2O4 −, is stabilized by five N—H...O, one O—H...O, two C—H...O and three C—H...X (X = F, Cl) hydrogen bonds. Intramolecular O—H...O and C—H...X hydrogen bonds generate edge-fused [S(7)R 4 4(24)S(7)R 2 2(10)S(7)R 4 4(24)S(7)] motifs. The cations and anions are linked to each other by C—H...O hydrogen bonds, forming a chain along the c axis. This chain and the other hydrogen bonds form [R 3 2(6)R 1 2(4)S(7)R 1 2(4)R 4 4(18)R 5 5(24)R 4 4(18)R 1 2(4)R 1 2(4)S(7)R 1 2(4)R 3 2(6)] motifs. The dihedral angle between the planes of the aromatic rings in the cation and anion is 34.86 (1)°.

scholarly journals 5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o458-o458
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Other Hand ◽  
Centroid Distance ◽  
The Mean

In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzofuran ring system and the methylphenyl ring is 14.50 (4)°. The centroid–centroid distances between the benzene and the methylphenyl rings are 3.827 (2) and 3.741 (2) Å, while the centroid–centroid distance between the furan and methylphenyl rings is 3.843 (2) Å. These distances indicate π–π interactions; on the other hand, the interplanar angles between the benzene and methylphenyl rings, and between the furan and methylphenyl rings are 13.89 (4) and 15.53 (4)°, respectively. In the crystal, the molecules stack along thea-axis direction.

scholarly journals Crystal structure of allylammonium hydrogen succinate at 100 K

2014 ◽  
Vol 70 (9) ◽  
pp. o917-o918 ◽  
Author(s):  
Błażej Dziuk ◽  
Bartosz Zarychta ◽  
Krzysztof Ejsmont
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O...O midpoint. These O—H...O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H...O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).

scholarly journals N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2433-o2433 ◽  
Author(s):  
Shumaila Younas Mughal ◽  
Islam Ullah Khan ◽  
William T. A. Harrison ◽  
Muneeb Hayat Khan ◽  
Muhammad Nadeem Arshad
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C14H12FNO4S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C—S—N—C bond adopts agaucheconformation [torsion angle = −68.12 (15)°]. The dihydrodioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N—H...O hydrogen bonds link the molecules intoC(4) chains propagating in [100]. Weak C—H...O and C—H...F interactions consolidate the packing.

scholarly journals 2,5-Dichloro-N-(3-methylphenyl)benzenesulfonamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2476-o2476 ◽  
Author(s):  
Shumaila Younas Mughal ◽  
Islam Ullah Khan ◽  
William T. A. Harrison ◽  
Muneeb Hayat Khan ◽  
Muhammad Nadeem Arshad
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C13H11Cl2NO2S, the dihedral angle between the aromatic rings is 76.62 (10)° and the C—S—N—C linkage between the rings adopts agaucheconformation [torsion angle = −51.4 (2)°]. A weak intramolecular C—H...O interaction closes anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(8) loops.

scholarly journals 4-Chloro-2-nitro-1-(2-phenylethyl)benzene

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
N. K. Manjunath ◽  
A. A. Nabil Najib ◽  
P. Nagendra ◽  
B. P Siddaraju ◽  
M. T. Swamy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
Cl Atom

In the title compound, C14H12ClNO2, the dihedral angle between the aromatic rings is 6.09 (17)° and the Car—C—C—Cartorsion angle is −179.4 (3)°. The nitro group is close to coplanar with its attached ring [dihedral angle = 7.9 (2)°] and the Cl atom is disordered over two adjacent sites in a 0.54 (4):0.46 (4) ratio. In the crystal, C—H...O hydrogen bonds link the molecules intoC(6) [001] chains.

scholarly journals 1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1927-o1927
Author(s):  
Muhammad Shafiq ◽  
Islam Ullah Khan ◽  
Muhammad Nadeem Arshad ◽  
Iftikhar Hussain Bukhari ◽  
Ejaz
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Double Bonds ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C18H19N3O2S, the thiazine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R 2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R 2 2(8) and R 2 2(12) loops, as parts of infinite chains along the a-axis direction.

scholarly journals Crystal structure of (E)-N-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 602-605 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Torsion Angles ◽  
Compound C ◽  
Corrugated Sheets

The molecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the molecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between thep-toluenesulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H...O contacts present within the sheets.

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