Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[11-(4-Chloro-phen-yl)-11,12-dihydro-benzo[c]phenanthridin-6-yl]benzamide.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(30)H(21)ClN(2)O, which differ slightly in the orientation of the unsubstituted phenyl ring. Inter-molecular C-H?? inter-actions stabilize the crystal structure. The crystal studied was found to be a racemic twin. The dihedral angles between the substituted phenyl ring and the benzo[c]phenanthridine system are 87.13?(5) and 79.25?(5)° in the two molecules.

SUBMITTER: Zhang M

PROVIDER: S-EPMC3009300 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-[11-(4-Chloro-phen-yl)-11,12-dihydro-benzo[c]phenanthridin-6-yl]benzamide.

Zhang Min M Wu Xiang-Yang XY Yang Liu-Qing LQ

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

There are two independent mol-ecules in the asymmetric unit of the title compound, C(30)H(21)ClN(2)O, which differ slightly in the orientation of the unsubstituted phenyl ring. Inter-molecular C-H⋯π inter-actions stabilize the crystal structure. The crystal studied was found to be a racemic twin. The dihedral angles between the substituted phenyl ring and the benzo[c]phenanthridine system are 87.13 (5) and 79.25 (5)° in the two molecules. ...[more]

PMID: 21589140

Similar Datasets

12-(4-Chloro-phen-yl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-one.

Project description:The title compound, C(25)H(21)ClO(2), was synthesized via the three-component coupling of 4-chloro-benzaldehyde, 2-naphthol and 5,5-dimethyl-cyclo-hexane-1,3-dione. The pyran ring adopts a boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 4-chloro-phenyl ring is almost perpendicular to the pyran ring [dihedral angle = 87.39?(1)°]. In the crystal, mol-ecules are connected by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983494 | biostudies-literature

N-(3-Chloro-phen-yl)benzamide.

Project description:The conformation of the N-H bond in the structure of the title compound (N3CPBA), C(13)H(10)ClNO, is anti to the meta chloro substituent in the aniline benzene ring, similar to that observed with respect to the ortho chloro substituent in N-(2-chloro-phen-yl)benzamide (N2CPBA) and meta chloro substituent in N-(3,4-dichloro-phen-yl)benzamide (N34DCPBA), but in contrast to the syn conformation observed with respect to both the ortho and the meta chloro substituents in N-(2,3-dichloro-phen-yl)benzamide (N23DCPBA). The bond parameters in N3CPBA are similar to those in N-phenyl-benzamide, N2CPBA, N23DCPBA, N34DCPBA and other benzanilides. The amide group -NHCO- makes a dihedral angle of 18.2?(2)° with the benzoyl ring, while the dihedral angle between the two benzene rings is 61.0?(1)°. The mol-ecules are linked into chains along the b axis by N-H?O hydrogen bonds.

| S-EPMC2960316 | biostudies-literature

3-Chloro-N-(3-chloro-phen-yl)benzamide.

Project description:In the crystal structure of the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O bonds are anti to each other in the two independent mol-ecules. In one mol-ecule, the N-H bond is syn to the meta-chloro group of the attached ring; it is anti in the other mol-ecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide -NHCO- group makes dihedral angles of 31.5?(4) and 34.7?(3)° with the aniline rings; it makes dihedral angles of 37.4?(3) and 37.2?(3)° with the benzoyl rings. The two rings are nearly coplanar, with dihedral angles of 9.1?(2) and 7.3?(3)° in the two independent mol-ecules. Adjacent mol-ecules are linked into infinite chains through N-H?O hydrogen bonds.

| S-EPMC2961234 | biostudies-literature

4-Chloro-N-(2-chloro-phen-yl)benzamide.

Project description:In the mol-ecular structure of the title compound, C(13)H(9)Cl(2)NO, the amide N-C=O plane makes dihedral angles of 31.53?(8) and 36.23?(8)°, respectively, with the 4-chloro- and 2-chloro-phenyl rings. The dihedral angle between the two benzene rings is 6.25?(8)°. The mol-ecules are stacked in columns along the b axis through inter-molecular N-H?O hydrogen bonds. The columns are further connected by weak C-H?O hydrogen bonds. The compound is not isomorphous with the fluoro analogue.

| S-EPMC2959385 | biostudies-literature

3-Chloro-N-(2-chloro-phen-yl)benzamide.

Project description:In the title compound, C(13)H(9)Cl(2)NO, the meta-Cl atom in the benzoyl ring is positioned anti to the C=O bond, while the ortho-Cl atom in the aniline ring is positioned syn to the N-H bond. The two aromatic rings are almost coplanar, making a dihedral angle of 4.73?(5)°. The crystal structure is stabilized by N-H?O hydrogen bonds, which link the mol-ecules into chains along the b axis.

| S-EPMC3254408 | biostudies-literature

2-Chloro-N-(3-chloro-phen-yl)benzamide.

Project description:In the structure of the the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O groups are mutually trans. Furthermore, the conformation of the C=O group is syn to the ortho-chloro group in the benzoyl ring, while the N-H bond is anti to the meta-chloro group in the aniline ring. The amide group forms dihedral angles of 89.11?(19) and 22.58?(37)°, respectively, with the benzoyl and aniline rings, while the benzoyl and aniline rings form a dihedral angle of 69.74?(14)°. The mol-ecules are linked into infinite chains through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2961659 | biostudies-literature

2-Amino-4-(4-chloro-phen-yl)-5,6-dihydro-benzo[h]quinoline-3-carbonitrile-3-amino-1-(4-chloro-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile (1/4).

Project description:The asymmetric unit of the 1:4 title co-crystal of 2-amino-4-(4-chloro-phen-yl)-5,6-dihydro-benzo[h]quinoline-3-carbonitrile and 3-amino-1-(4-chloro-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile, 0.2C(20)H(14)ClN(3)·0.8C(22)H(14)ClN(3), has the atoms of the fused-ring system and those of the amino, cyano and chloro-phenyl substitutents overlapped. The fused-ring system is buckled owing to the ethyl-ene linkage in the central ring. There are two independent overlapped mol-ecules in the asymmetric unit. In one independent mol-ecule, the two flanking aromatic rings are twisted by 24.4?(1)° and the ring of the chloro-phenyl substituent is twisted by 87.3?(1)° relative to the amino- and cyano-bearing aromatic ring. In the second mol-ecule, the respective dihedral angles are 26.1?(1) and 57.8?(1)°. The two independent mol-ecules are linked by N-H?N hydrogen bonds into dimers.

| S-EPMC3247609 | biostudies-literature

2-Chloro-N-(2,6-dichloro-phen-yl)benzamide.

Project description:In the structure of the title compound (N26DCP2CBA), C(13)H(8)Cl(3)NO, the conformations of N-H and C=O bonds in the amide group are trans to each other, similar to that observed in N-(2,6-dichloro-phen-yl)benzamide, 2-chloro-N-phenyl-benzamide, 2-chloro-N-(2-chloro-phen-yl)benzamide and 2-chloro-N-(2,3-dichloro-phen-yl)benzamide with similar bond parameters. Furthermore, the position of the amide O atom is syn to the ortho-chloro group in the benzoyl ring. The amide group makes a dihedral angle of 59.8?(1)° with the benzoyl ring, while the benzoyl and aniline rings make a dihedral angle of 8.1?(2)°. The mol-ecules are linked by N-H?O hydrogen bonds into infinite chains running along the b axis.

| S-EPMC2962123 | biostudies-literature

N-(3-Chloro-phen-yl)-2-methyl-benzamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(14)H(12)ClNO, is anti to the meta-chloro substituent in the aniline ring, while the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring. The conformations of the N-H and C=O bonds are anti to each other, similar to those observed in 2-methyl-N-(3-methyl-phen-yl)benzamide (N3MP2MBA). The -NHC(=O)- group makes a dihedral angle of 55.8?(7)° with the benzoyl ring, while the angle between the benzoyl and aniline rings is 37.5?(1)°; the respective values for N3MP2MBA are 55.2?(7) and 36.2?(1)°. N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the c axis.

| S-EPMC2961145 | biostudies-literature

N-(4-Chloro-phen-yl)-2-methyl-benzamide.

Project description:In the structure of the title compound, C(14)H(12)ClNO, the N-H and C=O bonds are trans to each other. Furthermore, the C=O bond is syn to the ortho-methyl group in the benzoyl ring, similar to what is observed in 2-methyl-N-(4-methyl-phen-yl)benzamide and 2-methyl-N-phenyl-benzamide. The amide linkage (-NHCO-) makes dihedral angles of 36.9?(7) and 46.4?(5)° with the aniline and benzoyl rings, respectively, while the dihedral angle between the benzoyl and aniline rings is 83.1?(1)°. In the crystal structure, mol-ecules form chains running along the b axis through N-H?O hydrogen bonds.

| S-EPMC2968167 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data