scholarly journals (5E)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one

2014 ◽  
Vol 70 (6) ◽  
pp. o629-o630 ◽  
Author(s):  
Alex Fabiani Claro Flores ◽  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Lucas Pizzuti ◽  
Patrick Teixeira Campos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Phenyl Ring ◽  
Pyrrolidine Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Molecular Arrangement ◽  
Hydrogen Bonding Interactions ◽  
Centrosymmetric Dimers

In the crystal structure of the title compound, C14H12Cl3NO2, no classical hydrogen-bonding interactions are observed. The methylene fragments of the benzyl groups participate in non-classic hydrogen-bond interactions with the carbonyl O atoms of neighboring molecules, generating co-operative centrosymmetric dimers withR55(10) ring motifs. The overall molecular arrangement in the unit cell seems to be highly influenced by secondary non-covalent weak C—Cl...π [Cl...Cg(phenyl ring) = 3.732 (2) Å] and C—O...π [O...Cg(pyrrolidine ring) = 2.985 (2) Å] contacts.

scholarly journals Crystal structure ofN-(propan-2-ylcarbamothioyl)benzamide

2015 ◽  
Vol 71 (1) ◽  
pp. o56-o57
Author(s):  
Jerry P. Jasinski ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mohamed A. Gad ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Central Plane ◽  
Prominent Feature ◽  
Compound C ◽  
Centrosymmetric Dimers

In the crystal structure of the title compound, C11H14N2OS, the six atoms of the central C2N2OS residue are coplanar (r.m.s. deviation = 0.002 Å), which facilitates the formation of an intramolecular N—H...O hydrogen bond, which closes anS(6) loop. The terminal phenyl ring is inclined with respect to the central plane [dihedral angle = 42.10 (6)°]. The most prominent feature of the crystal packing is the formation of {...HNCS}2synthons resulting in centrosymmetric dimers.

scholarly journals (2-Hydroxyphenyl)(4,2′:4′,4′′-terpyridin-6′-yl)methanone

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
S. Devika ◽  
Noor Shahina Begum ◽  
Kiran B. Manjappa ◽  
Ding-Yah Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Central Ring ◽  
Pyridine Ligands ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
The Mean

The title compound, C22H15N3O2, can be described as a ketone with a phenol substituent and a terpyridine ligand coordinated to the carbonyl group. The three six-membered rings of the terpyridine ligand are not coplanar. The dihedral angles between the mean planes of the central ring and the external pyridine ligands are 22.77 (9) and 26.77 (7)°. The central ring of the terpyridine ligand is also not coplanar with the o-hydroxy phenyl ring, the dihedral angle being 39.72 (5)°. An intramolecular O—H...O hydrogen bond occurs. The crystal structure of the title compound is consolidated by C—H...O and C—H...N hydrogen bonding interactions.

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 Crystal structure of (2-benzyloxypyrimidin-5-yl)boronic acid

2014 ◽  
Vol 70 (12) ◽  
pp. o1259-o1260
Author(s):  
Krzysztof Durka ◽  
Tomasz Kliś ◽  
Janusz Serwatowski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Boronic Acid ◽  
Acid Group ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Hydroxy Groups ◽  
Centrosymmetric Dimers

The boronic acid group in the title compound, C11H11BN2O3, adopts asyn–anticonformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8 (2)°. In the crystal, adjacent molecules are linkedviapairs of O—H...O interactions, forming centrosymmetric dimers with anR22(8) motif, which have recently been shown to be energetically very favorable (Durkaet al., 2012, 2014). The hydroxy groups in ananticonformation are engaged in lateral hydrogen-bonding interactions with N atoms from neighbouring molecules, leading to the formation of chains along [001]. O...B [3.136 (2) Å] and C(π)...B [3.393 (2) Å] stacking interactions in turn link parallel chains of centrosymmetric dimers into layers parallel to (010).

scholarly journals (Z)-2-(2-Oxoindolin-3-ylidene)-N-phenylhydrazinecarbothioamide

2012 ◽  
Vol 68 (4) ◽  
pp. o962-o963 ◽  
Author(s):  
Amna Qasem Ali ◽  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Abdussalam Salhin ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Graph Set

In the title compound, C15H12N4OS, the dihedral angle between the nine-membered indolin-2-one ring system and the phenyl ring is 2.72 (7)°. Intramolecular cyclic N—H...O and C—H...S hydrogen-bonding interactions [graph setS(6)] are present, as are weak N—H...N interactions [graph setS(5)]. In the crystal, molecules form centrosymmetric cyclic dimers through pairs of N—H...O hydrogen bonds [graph setR22(8)] and these are extended by C—H...S interactions. The crystal structure also features weak C—H...π interactions.

scholarly journals Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor

2016 ◽  
Vol 72 (5) ◽  
pp. 692-695
Author(s):  
Huirong Zheng ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Secondary Amine ◽  
Resonant Scattering ◽  
Bilayer Structure ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Absolute Structure ◽  
Sulfonamide Group

In crystal structure of the title compound, C12H21N3O5S3[systematic name: (R)-4-ethylamino-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding interactions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the methoxy O atom, resulting in the formation of layers parallel to thebcplane. The layers are linked by an N—H...O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure. The absolute structure of the molecule in the crystal was determined by resonant scattering [Flack parameter = 0.01 (4)].

scholarly journals Crystal structure of methyl (2Z)-2-{[N-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate

2015 ◽  
Vol 71 (12) ◽  
pp. o1088-o1089
Author(s):  
Ankur Trigunait ◽  
Kannan Damodharan ◽  
Bakthadoss Manickam ◽  
Gunasekaran Krishnasamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C26H25NO6S, the S atom shows a distorted tetrahedral geometry, with O—S—O [119.46 (9)°] and N—S—C [107.16 (7)°] angles deviating from ideal tetrahedral values, a fact attributed to the Thorpe–Ingold effect. The sulfonyl-bound phenyl ring forms dihedral angles of 41.1 (1) and 83.3 (1)°, respectively, with the formylphenyl and phenyl rings. The dihedral angle between formylphenyl and phenyl rings is 47.6 (1)°. The crystal packing features C—H...O hydrogen-bond interactions.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

scholarly journals Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

2014 ◽  
Vol 70 (10) ◽  
pp. o1106-o1106
Author(s):  
Yong-Le Zhang ◽  
Chuang Zhang ◽  
Wei Guo ◽  
Jing Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H...N hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

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