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N-[2-(N-Cyclo-hexyl-carbamo-yl)propan-2-yl]-N-(2-iodo-phen-yl)prop-2-ynamide.

ABSTRACT: In the title compound, C(19)H(23)IN(2)O(2), the cyclo-hexane ring adopts a chair conformation, and the mean plane of the propiolamide unit is approximately perpendicular to the benzene ring [dihedral angle = 88.12 (13)°]. Weak intra-molecular C-H⋯O hydrogen bonding is observed between the carbonyl group and the benzene ring. In the crystal, classical N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions are present.

SUBMITTER: Balalaie S

PROVIDER: S-EPMC3274969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[2,6-Bis(propan-2-yl)phen-yl]-1,3-di-cyclo-hexyl-guanidine.

Project description:In the title asymmetric di-cyclo-hexyl-phenyl-guanidine, C25H41N3, the central guanidine C atom deviates by only 0.004?(2)?Å from the central plane defined by the three N atoms. The benzene and the cyclo-hexyl rings are rotated out of the central plane of the N3C unit by 85.63?(12)° (benzene) and 51.52?(9) and 49.37?(12)° (cyclohexyl). The crystal packing features only by van der Waals inter-actions.

| S-EPMC4120537 | biostudies-literature

2-(N-Cyclo-hexyl-carbamo-yl)benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(13)H(18)N(2)O(3)S, contains two mol-ecules with similar conformations. In both mol-ecules, the cyclo-hexyl rings adopt chair conformations, with the attached N atom in an equatorial orientation and an intra-molecular N-H?O hydrogen bond generates an S(7) ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules and a C-H?O hydrogen bond is also observed. The crystal studied was a racemic twin.

| S-EPMC3275049 | biostudies-literature

(R(P))-5-Methyl-2-(propan-2-yl)cyclo-hexyl phen-yl{phen-yl[(1-phenyl-eth-yl)amino]-meth-yl}phosphinate.

Project description:In the title compound, C(31)H(40)NO(2)P, the P atom has a distorted tetra-hedral stereochemistry [bond-angle range about P = 103.33?(6)-115.24?(15)°] and has R(P) chirality, which was confirmed crystallographically. The dihedral angles between the P-bonded phenyl ring and the other two phenyl rings are 40.4?(3) and 12.2?(2)°. In the crystal, a C-H?O inter-action links mol-ecules into chains which extend along [100].

| S-EPMC3414267 | biostudies-literature

Methyl (2Z)-3-[(4-nitro-phen-yl)carbamo-yl]prop-2-enoate.

Project description:In the title compound, C(11)H(10)N(2)O(5), the amide group is nearly coplanar and the ester group approximately perpendicular to the vinyl C-HC=CH-C group [dihedral angles of 5.0?(2) and 88.89?(5)°, respectively]. This results in a short intra-molecular O =C?O=C contact of 2.7201?(17)?Å between the amide O atom and the ester carbonyl C atom. The prop-2-enamide fragment and the nitro group make dihedral angles of 20.42?(6) and 13.54?(17)°, respectively, with the benzene ring. An intra-molecular C-H?O inter-action between the benzene ring and the amide group generates an S(6) ring motif. Inter-molecular C-H?O and N-H?O hydrogen bonds complete R(2) (2)(11) ring motifs and join mol-ecules into [100] chains.

| S-EPMC3050372 | biostudies-literature

N-[4-(N-Cyclo-hexyl-sulfamo-yl)phen-yl]acetamide.

Project description:In the title compound, C(14)H(20)N(2)O(3)S, the cyclo-hexyl ring adopts a chair conformation: the four coplanar C atoms of this ring make a dihedral angle of 64.8 (2)° with the benzene ring. In the mol-ecule, an intra-molecular C-H⋯O contact generates an S(6) ring motif. In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds into two-dimensional layers propagating in (100).

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(2Z)-4-[(2-Hy-droxy-phen-yl)carbamo-yl]prop-2-enoic acid.

Project description:In the title compound, C(10)H(9)NO(4), the 2-hy-droxy-anilinic and the 4-oxobut-2-enoic acid groups are almost planar, with r.m.s. deviations of 0.0086 and 0.0262?Å, respectively. The dihedral angle between the two groups is 6.65?(1)°. Intra-molecular N-H?O, C-H?O and O-H?O hydrogen bonds form S(5), S(6) and S(7) ring motifs. In the crystal, the mol-ecules are dimerized due to C-H?O and O-H?O inter-molecular hydrogen bonds, with R(2) (2)(8) ring motifs. The dimers are inter-linked into polymeric chains along [010] with R(4) (3)(13) ring motifs by C-H?O, N-H?O and O-H?O hydrogen bonds.

| S-EPMC3011684 | biostudies-literature

N-Cyclo-hexyl-N-(prop-2-en-1-yl)benzene-sulfonamide.

Project description:The title compound, C(15)H(21)NO(2)S, synthesized by N-alkyl-ation of cyclo-hexyl-amine benzene-sulfonamide with allyl iodide, is of inter-est as a precursor to biologically active sulfur-containing heterocyclic compounds. The cyclo-hexane ring is in a chair form and its mean plane makes a dihedral angle of 53.84?(12)° with the phenyl ring.

| S-EPMC2972124 | biostudies-literature

Crystal structure of 4-cyclo-hexyl-1-(propan-2-yl-idene)thio-semicarbazide.

Project description:In the title compound, C10H19N3S, the cyclo-hexyl group adopts a chair conformation and adopts a position approximately syn to the thione S atom. The CN2S thio-urea moiety makes dihedral angle of 13.13 (10)° with the propan-2-yl-idene-amino group. An intra-molecular N-H⋯N hydrogen bond is noted. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R (2) 2(8) loops.

| S-EPMC4257229 | biostudies-literature

2-(2-Chloro-phen-yl)-N-cyclo-hexyl-2-oxoacetamide.

Project description:In the title compound, C14H16ClNO2, the cyclo-hexyl ring has a chair conformation. The dihedral angle between the benzene ring and the mean plane of the four planar C atoms of the cyclo-hexyl ring is 45.2 (3)°. The two carbonyl groups are trans to one another, with an O=C-C=O torsion angle of -137.1 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds forming chains propagating along [001]. A region of disordered electron density, situated near the unit-cell corners, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. It gave a solvent-accessible void of ca 400 Å(3) for only 21 electrons. It is probably due to traces of the solvent of crystallization and was not taken into account during structure refinement.

| S-EPMC3629535 | biostudies-literature

catena-Poly[[triphenyl-tin(IV)]-μ(2)-[3-(cyclo-hexyl-carbamo-yl)propanoato-κO:O]].

Project description:The Sn atom in the polymeric title compound, [Sn(C(6)H(5))(3)(C(10)H(16)NO(3))](n), is five-coordinated within a trans-C(3)O(2) donor set that defines an approximate trigonal-bipyramidal geometry. The carboxyl-ate ligand is monodentate and the amide O atom bridges a symmetry-related Sn atom, generating a chain along [010] with a linear topology. An intra-molecular carboxyl-ate-carbonyl N-H⋯O hydrogen bond is responsible for the curved conformation within the carboxyl-ate ligand.

| S-EPMC2983217 | biostudies-literature

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