scholarly journals Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile

2015 ◽  
Vol 71 (9) ◽  
pp. o663-o664
Author(s):  
V. Rajni Swamy ◽  
R.V. Krishnakumar ◽  
S. Sivakumar ◽  
N. Srinivasan ◽  
R. Ranjith Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Lattice ◽  
Torsion Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Benzoyl Group ◽  
Graph Set

In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group isciswith respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydrofuran ring is close to twisted (4T5), with parametersQ= 0.1856 (16) Å and φ = 313.5 (5)°. Molecules are interconnectedviaa C—H...N and a C—H...O hydrogen bond, leading to layers parallel to the (200) plane and characterized byR44(28) andR44(36) graph-set motifs. The furan O atom does not participate in intermolecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å3.

scholarly journals Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone

2014 ◽  
Vol 70 (9) ◽  
pp. o974-o975 ◽  
Author(s):  
V. Rajni Swamy ◽  
P. Gunasekaran ◽  
R. V. Krishnakumar ◽  
N. Srinivasan ◽  
P. Müller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Torsion Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chain Graph ◽  
Compound C ◽  
Structural Relationships ◽  
Graph Set

The title compound, C26H18F3N3O2S, a 2-methoxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thiophene ring is disorder free and the –CF3group exhibits disorder, respectively, in contrast and similar to that observed in the 4-methyl- and 4-chloro-substituted derivatives. The torsion angle which defines the twist of the thiophene ring is −69.6 (2)° (gauche) in the title compound, whereas it is anticlinal in the 4-methyl- and 4-chloro-substituted derivatives, with respective values of 99.9 (2) and 99.3 (2)°. The absence of disorder in the thiophene ring facilitates one of its ring C atoms to participate in the lone intermolecular C—H...O hydrogen bond present in the crystal, leading to a characteristicC(5) chain graph-set motif linking molecules related through glides along [010]. An intramoleculr C—H...N hydrogen bond also occurs.

scholarly journals (E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1782-o1782
Author(s):  
P. Balamurugan ◽  
K. Kanmani Raja ◽  
S. Kutti Rani ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings ◽  
Graph Set

In the title compound, C19H22BrNO, the dihedral angle between the benzene rings is 76.17 (14)° and an intramolecular O—H...N hydrogen bond with an S(6) graph-set motif is present. One methyl group is disordered over two sets of sites with site occupancies of 0.66 (3) and 0.34 (3). A weak intermolecular C—H...π interaction is observed in the crystal structure.

1-(4-Chlorophenyl)-4-(2-furoyl)-3-(2-furyl)-1H-pyrazol-5-ol

2007 ◽  
Vol 63 (3) ◽  
pp. o1289-o1290 ◽  
Author(s):  
Jin-Zhou Li ◽  
Heng-Qiang Zhang ◽  
Hong-Xin Li ◽  
Pi-Zhi Che ◽  
Tian-Chi Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydroxyl Groups ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Graph Set

The crystal structure of the title compound, C18H11ClN2O4, contains intra- and intermolecular hydrogen bonds that link the ketone and hydroxyl groups. The intermolecular hydrogen bond results in the formation of a dimer with an R 2 2(12) graph-set motif.

(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate

2000 ◽  
Vol 57 (1) ◽  
pp. o58-o60
Author(s):  
Sean P. Bew ◽  
Mark E. Light ◽  
Michael B. Hursthouse ◽  
David W. Knight ◽  
Robert J. Middleton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Relative Stereochemistry

The crystal structure determination of the title compound, C13H15IO4, has allowed the relative stereochemistry between the tetrasubstituted C atoms on the tetrahydrofuran moiety to be confirmed. The title compound is a precursor of the ionophoric antibiotic Aplasmomycin. The compound is involved in both intra- and intermolecular hydrogen bonding, the latter link the molecules into chains running along thebaxis.

scholarly journals 2-(Trimethylazaniumyl)ethyl hydrogen phosphate (phosphocholine) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o549-o549
Author(s):  
Yohsuke Nikawa ◽  
Kyoko Fujita ◽  
Keiichi Noguchi ◽  
Hiroyuki Ohno
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Hydrogen Phosphate ◽  
Compound C ◽  
Phosphate Groups

In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phosphocholine molecules are connected by an O—H...O hydrogen bond between the phosphate groups, forming a zigzag chain along theb-axis direction. The chains are further connected through O—H...O hydrogen bonds involving water molecules, forming a layer parallel to (101). Three and one C—H...O interactions are also observed in the layer and between the layers, respectively. The conformation of the N—C—C—O backbone isgauchewith a torsion angle of −75.8 (2)°

(13bR,13cS)-rel-11b,11c-Diphenyl-6,11-dihydro-1H,3H,4H,13H-2-oxa-3a,4a,5a,11a,12a,13a-hexaazabenz[f]indeno[2,1,8-ija]naphth[2,3-f]azulene-4,6,11,13-tetrone chloroform solvate

2006 ◽  
Vol 62 (7) ◽  
pp. o2945-o2946
Author(s):  
Sheng-li Hu ◽  
Hui-Zhen Guo ◽  
Neng-Fang She
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Molecular Tweezers ◽  
Compound C ◽  
Important Intermediate

The crystal structure of the title compound, C28H22N6O5·CHCl3, an important intermediate for molecular tweezers, shows intermolecular hydrogen bonding.

scholarly journals Crystal structure of the thalidomide analog (3aR*,7aS*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione

2018 ◽  
Vol 74 (11) ◽  
pp. 1595-1598 ◽  
Author(s):  
Yousef Hijji ◽  
Ellis Benjamin ◽  
Jerry P. Jasinski ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Aromatic Ring ◽  
Title Compound ◽  
Reciprocal Lattice ◽  
Three Dimensional ◽  
Racemic Mixture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Graph Set

The title compound, C13H16N2O4, crystallizes in the monoclinic centrosymmetric space group, P21/c, with four molecules in the asymmetric unit, thus there is no crystallographically imposed symmetry and it is a racemic mixture. The structure consists of a six-membered unsaturated ring bound to a five-membered pyrrolidine-2,5-dione ring N-bound to a six-membered piperidine-2,6-dione ring and thus has the same basic skeleton as thalidomide, except for the six-membered unsaturated ring substituted for the aromatic ring. In the crystal, the molecules are linked into inversion dimers by R 2 2(8) hydrogen bonding involving the N—H group. In addition, there are bifurcated C—H...O interactions involving one of the O atoms on the pyrrolidine-2,5-dione with graph-set notation R 1 2(5). These interactions along with C—H...O interactions involving one of the O atoms on the piperidine-2,6-dione ring link the molecules into a complex three-dimensional array. There is pseudomerohedral twinning present which results from a 180° rotation about the [100] reciprocal lattice direction and with a twin law of 1 0 0 0 \overline{1} 0 0 0 \overline{1} [BASF 0.044 (1)].

Crystal Structure and Chirality of the Ansamycin Antibiotic Actamycin

1991 ◽  
Vol 44 (5) ◽  
pp. 655 ◽  
Author(s):  
TW Hambley ◽  
V Parthasarathi ◽  
RW Rickards ◽  
GB Robertson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Least Squares ◽  
Absolute Configuration ◽  
Torsion Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonding ◽  
Triclinic Space Group ◽  
Relative Stereochemistry

The structure of the title compound has been determined from diffractometer data recorded, initially, at 294 K and, subsequently, at 168 K. Crystals are triclinic, space group P1 with (168 K values in square brackets) a 16.080(2) [15.934(2)], b 15.958(2) [15.880(2)], c 8.443(2)Ǻ [8.233(1)Ǻ], α 85.55(1) [86.04(1)],β 82.65(1) [82.56(1)],γ 85.00(1)° [84.73(1)°], and contain two actamycin and two solvent ( tetrahydrofuran ) molecules in the asymmetric scattering unit. The structure was solved with DIRDIF and refined by block-diagonal least-squares analysis (of 168 K data) to R 0.049 ( wR 0.069) for 5640 reflections and 940 refined parameters. Molecules of actamycin (30-dechloro-2-demethyl-30-hydroxynaphthomycin A) exhibit the same relative stereochemistry (8S*,9S*,15S*,18S*,19S*,20S*) and double-bond configuration (2Z,4Z,6E,12E,16E,21E) as reported for crystalline 25-O-methylnaphthomycin A iminomethyl ether but are quite differently conformed. The two crystallographically inequivalent actamycin molecules in the present structure also exhibit substantial conformational (torsion angle) differences due, apparently, to the effects of intermolecular hydrogen bonding. Consideration of chiroptical data defines the absolute configuration of actamycin as 8S,9S,15S,18S,19S,20S and the helicity as P, as in naphthomycin A.

scholarly journals Crystal structure ofN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide

2017 ◽  
Vol 73 (6) ◽  
pp. 901-904 ◽  
Author(s):  
Trung Vu Quoc ◽  
Linh Nguyen Ngoc ◽  
Cong Nguyen Tien ◽  
Chien Thang Pham ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Orientational Disorder ◽  
Axis Direction ◽  
Compound C ◽  
Ring Structures ◽  
Graph Set

The title compound, C9H8N2O2S3, crystallizes with two molecules (AandB) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N—H...O hydrogen bond. In both molecules, the thiophene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for moleculeA, and 0.7916 (19) and 0.2084 (19) for moleculeB. The five-membered rings make an angle of 79.7 (2)° in moleculeAand an angle of 66.8 (2)° in moleculeB. In the crystal, chains of molecules running along thea-axis direction are linked by N—H...O hydrogen bonds. The interaction of adjacent chains through N—H...O hydrogen bonds leads to two types of ring structures containing four molecules and described by the graph-set motifsR44(18) andR42(14).

scholarly journals 5-Amino-1-(2′,3′-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure withZ′ = 4

2017 ◽  
Vol 73 (2) ◽  
pp. 183-187 ◽  
Author(s):  
Vincenzo Piccialli ◽  
Nicola Borbone ◽  
Giorgia Oliviero ◽  
Gennaro Piccialli ◽  
Stefano D'Errico ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Similar Conformation

The title compound, C12H20N4O5, crystallizes in the monoclinic space groupP21, with four crystallographically independent molecules in the asymmetric unit. The four molecules have a very similar conformation that is basically determined by the formation of two intramolecular hydrogen bonds between the amino NH2donors and the carbonyl and ring O-atom acceptors, forming, respectively,R(6) andR(7) ring motifs.. In the crystal, intermolecular hydrogen bonding leads to the formation ofR22(10) ring patterns, involving one amide CONH2donor and an imidazole N-atom acceptor. The cluster of the four independent molecules has approximate non-crystallographicC2point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the D-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

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