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1.  Crystal structure of (E)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)eth­yl]amine 
The title compound, C21H22N2O, crystallizes with two independent mol­ecules in the asymmetric unit. In both mol­ecules, the anthracene ring systems are almost planar, with maximum deviations of 0.071 (8) and 0.028 (7) Å, and make dihedral angles of 73.4 (2) and 73.3 (2)° with the least-squares planes formed by the four C atoms of the morpholine rings, which adopt a chair conformation. An intra­molecular C—H⋯π inter­action occurs. In the crystal, the packing is stabilized by weak C—H⋯O hydrogen bonds, which connect pairs of molecules into parallel to the c axis, and C—H⋯π inter­actions.
doi:10.1107/S1600536814018807
PMCID: PMC4186061  PMID: 25309217
crystal structure; C—H⋯π inter­actions; Schiff bases; anthracene; morpholine; methanimine
2.  Crystal structure of (E)-N-(3,4-di­meth­oxy­benzyl­idene)morpholin-4-amine 
In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19 (11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C—H⋯N hydrogen bonds link the mol­ecules into supramolecular chains running along a 21 screw axis parallel to the b-axis direction. Weak C—H⋯π inter­actions are also observed.
doi:10.1107/S160053681401678X
PMCID: PMC4186114  PMID: 25309263
crystal structure; hydrogen bonding; C—H⋯π inter­actions; Schiff bases; morpholin-4-amine
3.  Crystal structure of {(E)-4-[(1-allyl-1H-1,2,3-triazol-4-yl)meth­oxy]benzyl­idene}[2-(morpholin-4-yl)eth­yl]amine 
In the title compound, C19H25N5O2, the morpholine ring has a chair conformation. The plane of the central benzene ring makes dihedral angles of 88.75 (12) and 60.02 (7)°, respectively, with the mean plane formed by the four planar C atoms of the morpholine ring and with the plane of the triazole ring. In the crystal, mol­ecules are linked via C—H⋯π inter­actions, forming slabs lying parallel to (10-1). The C atoms of the bridging ethyl­ene group, between the morpholine and benzene rings, and the terminal ethene group of the prop-1-ene substituent attached to the triazole ring, are disordered over two sets of sites, with an occupancy ratio of 0.634 (13):0.366 (13).
doi:10.1107/S1600536814016754
PMCID: PMC4186139  PMID: 25309262
crystal structure; Schiff base; morpholine; 1,2,3-triazole; disorder
4.  (3aR,6S,7aR)-7a-Chloro-6-methyl-2-(4-nitro­phenyl­sulfon­yl)-1,2,3,6,7,7a-hexa­hydro-3a,6-ep­oxy­iso­indole 
In the title compound, C15H15ClN2O5S, the tetra­hydro­furan ring adopts an envelope conformation with the O atom as the flap. The pyrrolidine ring adopts an envelope conformation with the chlorine-substituted C atom as the flap. In the crystal, two types of C—H⋯O hydrogen bonds generate R 2 2(20) and R 4 4(26) rings, with adjacent rings running parallel to ac plane. Further C—H⋯O hydrogen bonds form a C(6) chain, linking the mol­ecules in the b-axis direction.
doi:10.1107/S1600536813026329
PMCID: PMC3884300  PMID: 24454076
5.  2-[(E)-(Morpholin-4-yl­imino)­meth­yl]-6-(morpholin-4-ylmeth­yl)phenol 
The title compound, C16H23N3O3, contains two morpholine rings, each of which adopts a chair conformation. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond, leading to a S(6) ring. In the crystal, mol­ecules are linked into zigzag chains along the c-axis direction by C—H⋯O and C—H⋯π inter­actions.
doi:10.1107/S160053681302566X
PMCID: PMC3790431  PMID: 24098250
6.  (E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth­oxy}phen­yl)methanimine 
In the title compound, C20H18N4O3, the dihedral angles between the central benzene ring and the 1H-1,2,3-triazole ring and the fused benzene ring are 65.34 (19) and 3.64 (18)°, respectively. The dioxole ring adopts a shallow envelope conformation, with the methyl­ene C atom displaced by 0.156 (5) Å from the other four atoms (r.m.s. deviation = 0.007Å). In the crystal, the mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, generating a three-dimensional network.
doi:10.1107/S1600536813025749
PMCID: PMC3790434  PMID: 24098253
7.  (3aR,6S,7aR)-7a-Chloro-2-[(4-nitro­phen­yl)sulfon­yl]-1,2,3,6,7,7a-hexa­hydro-3a,6-ep­oxy­iso­indole 
In the title compound, C14H13ClN2O5S, the chlorine-substituted tetrahydrofuran ring adopts a twist conformation and the other tetra­hydro­furan ring an envelope conformation with the O atom as the flap. The pyrrolidine ring adopts a twist conformation. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into zigzag chains running along the b-axis direction.
doi:10.1107/S1600536813025336
PMCID: PMC3790416  PMID: 24098235
8.  N′-(4-Ethyl­cyclo­hexyl­idene)-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide 
The title compound, C23H24FN3O, crystallizes with two independent mol­ecules (I and II) in the asymmetric unit. These pairs of mol­ecules are linked to each other as N—H⋯O dimers with an R 2 2(10) motif. Furthermore, the crystal structure also exhibits C—H⋯π inter­actions. The atoms of the ethyl group in mol­ecule I are disordered over two sites with an occupancy ratio of 0.817 (6):0.183 (6).
doi:10.1107/S1600536813020394
PMCID: PMC3793815  PMID: 24109402
9.  5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza­spiro­[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide 
In the title compound, C24H24FN3O2S, the 1,3-thia­zolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclo­hexane ring is in a chair conformation. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57 Å3, but the residual electron density (highest peak = 0.23 e Å−3 and deepest hole = −0.19 e Å−3) in the difference Fourier map suggests no solvent mol­ecule occupies this void.
doi:10.1107/S1600536813018576
PMCID: PMC3793733  PMID: 24109320
10.  5-Fluoro-3-phenyl-N′-(4-propyl­cyclo­hexyl­idene)-1H-indole-2-carbohydrazide 
In the title compound, C24H26FN3O, the cyclo­hexane ring adopts a chair conformation; the propyl substituent is in an equatorial orientation and the bond-angle sum at the C atom bonded to the carbohydrazide N atom is 360.0°. The dihedral angle between the 1H-indole ring system and the phenyl ring is 82.77 (13)°. A weak intra­molecular C—H⋯π contact occurs. In the crystal, pairs of mol­ecules related by a crystallographic twofold axis are linked by bifurcated N—H⋯(O,N) hydrogen bonds; a C—H⋯O inter­action occurs between the same pair. The dimers are linked by C—H⋯F and C—H⋯π inter­actions, generating a three-dimensional network.
doi:10.1107/S1600536813018333
PMCID: PMC3793713  PMID: 24109300
11.  5-Fluoro-N′-(4-methyl­cyclo­hexyl­idene)-3-phenyl-1H-indole-2-carbohydrazide 
The title compound, C22H22FN3O, crystallized with two independent mol­ecules (A and B) in the asymmetric unit; these are linked by a pair of N—H⋯O hydrogen bonds, forming a pseudo-centrosymmetric dimer with an R 2 2(10) motif. In addition, a number of C—H⋯π inter­actions are also observed. The 1H-indole ring systems in mol­ecules A and B are essentially planar [maximum deviations of 0.019 (2) and 0.014 (2) Å, respectively] and make dihedral angles of 77.64 (10) and 69.50 (9)°, respectively, with thephenyl rings.
doi:10.1107/S1600536813018436
PMCID: PMC3793720  PMID: 24109307
12.  5-Chloro-N′-cyclo­hexyl­idene-3-methyl-1H-indole-2-carbohydrazide 
In the title compound, C16H18ClN3O, the cyclo­hexane ring adopts a distorted chair conformation. In the crystal, pairs of mol­ecules are linked by N—H⋯O hydrogen bonds into inversion dimers, forming R 2 2(10) ring motifs. These dimers are connected through C—H⋯N hydrogen bonds into chains along the a axis, forming layers parallel to (101).
doi:10.1107/S1600536813016899
PMCID: PMC3770403  PMID: 24046688
13.  2-{[3-Chloro-4-(4-chloro­phen­oxy)phen­yl]imino­meth­yl}-4-nitro­phenol 
In the title compound, C19H12Cl2N2O4, the imine bond length of 1.257 (6) Å is typical of a double bond. The dihedral angle between the para-nitro benzene ring and the central benzene ring is 12.06 (3)° and that between the central benzene and the para-chloro benzene ring is 73.81 (2)°. An intra­molecular O—H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked together by two pairs of C—H⋯O interactions (to the same O atom acceptor), forming inversion dimers. A short Cl⋯Cl contact [3.232 (4) Å] is observed.
doi:10.1107/S1600536813012518
PMCID: PMC3685046  PMID: 23795065
14.  1-{(E)-[4-Bromo-2-(trifluoro­meth­oxy)phen­yl]imino­meth­yl}naphthalen-2-ol 
The title compound, C18H11BrF3NO2, crystallizes in the phenol–imine tautomeric form, with a strong intra­molecular O—H⋯N hydrogen bond. The dihedral angle between the naphthalene ring system and the benzene ring is 28.54 (10)°.
doi:10.1107/S160053681300679X
PMCID: PMC3629589  PMID: 23634076
15.  1-{(Z)-[2-Meth­oxy-5-(trifluoro­meth­yl)anilino]methyl­idene}naphthalen-2(1H)-one 
The title compound, C19H14F3NO2, crystallizes in the keto–amine tautomeric form, with a strong intra­molecular N—H⋯O hydrogen bond. The mol­ecule is almost planar; the dihedral angle between the naphthalene ring system and the benzene ring is 4.60 (7)°. In the crystal, mol­ecules are linked into chains along the c axis by C—H⋯O hydrogen bonds. The F atoms of the trifluoro­methyl group are disordered over two positions with refined site occupancies of 0.668 (9) and 0.332 (9).
doi:10.1107/S1600536812051410
PMCID: PMC3569228  PMID: 23424451
16.  3-({4-[(2-Methyl­benzyl­idene)amino]-5-sulfanyl­idene-1H-1,2,4-triazol-3-yl}meth­yl)-1,3-benzoxazol-2(3H)-one 
In the title compound, C18H15N5O2S, a weak intra­molecular C—H⋯S hydrogen bond results in a small dihedral angle of 3.71 (9)° between the methyl­phenyl and triazole rings, which, in turn, form dihedral angles of 80.09 (8) and 77.32 (8)°, respectively, with the benzoxazolone mean plane. In the crystal, N—H⋯O hydrogen bonds link mol­ecules into chains along [001], and weak C—H⋯N hydrogen bonds and π–π inter­actions between the five- and six-membered rings [centroid–centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.
doi:10.1107/S1600536812051458
PMCID: PMC3569233  PMID: 23424456
17.  2-[Anilino(phen­yl)meth­yl]cyclo­heptan­one 
In the title compound, C20H23NO, the cyclo­hepta­none ring adopts a twist-chair conformation, with the amino­methyl substituent in an equatorial position. The relative configuration of the two stereocenters is R,R. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into chains along [100].
doi:10.1107/S1600536812050659
PMCID: PMC3588277  PMID: 23476371
18.  5-Chloro-N-{4-oxo-2-[4-(trifluoro­meth­yl)phen­yl]-1,3-thia­zolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide 
In the title compound, C25H17ClF3N3O2S, the five-membered 1,3-thia­zolidine ring adopts a twist conformation. The three F atoms of the CF3 group are disordered over two sets of sites with refined occupancies of 0.542 (18) and 0.458 (18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7 (2)° with the benzene ring, while it is twisted at an angle of 46.5 (2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoro­methyl-substituted benzene rings is 56.0 (2)°. In the crystal, N—H⋯O hydrogen bonds connect the mol­ecules into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions are observed.
doi:10.1107/S1600536812039347
PMCID: PMC3470337  PMID: 23125750
19.  2-[(Anilino)(2-nitro­phen­yl)meth­yl]cyclo­hexa­none 
In the title compound, C19H20N2O3, the cyclo­hexa­none ring adopts a chair conformation with the amino­methyl group is positioned equatorially. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds.
doi:10.1107/S1600536812036859
PMCID: PMC3470191  PMID: 23125635
20.  1-{[Dimeth­yl(phen­yl)sil­yl]meth­yl}-3-(2-phenyl­eth­yl)-1H-benzimidazol-3-ium bromide monohydrate 
The title compound, C24H27N2Si+·Br−·H2O, was synthesized from 1-(dimethyl­phenyl­silylmeth­yl)-1H-benzimidazole and (2-bromo­eth­yl)benzene in dimethyl­formamide. The benzimidazole ring system is nearly planar, with a maximum deviation of 0.015 (5) Å, and forms dihedral angles of 73.0 (3) and 39.6 (2)°, with the phenyl rings. In the crystal, mol­ecules are linked by O—H⋯Br, C—H⋯Br and C—H⋯O hydrogen bonds. In addition, the structure features π–π stacking inter­actions, with a face-to-face separation of 3.644 (3) Å between parallel benzimidazole ring systems.
doi:10.1107/S1600536812034915
PMCID: PMC3435733  PMID: 22969604
21.  1-[4-(4-Chloro­phen­yl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydro­pyridazin-1-yl)propan-1-one 
In the title compound, C29H27ClN4O2, the six-membered ring of the pyridazine group is nearly planar [maximum deviation = −0.062 (2) Å] and its mean plane makes dihedral angles of 43.05 (9), 44.71 (10) and 72.57 (9)°, respectively, with the two phenyl and benzene rings. The piperazine ring has a chair conformation and its mean plane is almost perpendicular to the attached benzene ring, with a dihedral angle of 83.20 (16)°. In the crystal, mol­ecules are linked via two pairs of C—H⋯O inter­actions, which result in the formation of chains propagating along [10-1]. Neighbouring chains are linked via C—H⋯π inter­actions.
doi:10.1107/S160053681203543X
PMCID: PMC3435734  PMID: 22969605
22.  3,4-Dimeth­oxy-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth­oxy}benzyl­idene)aniline 
In the title compound, C21H22N4O3, the triazole ring is planar [maximum deviaton = 0.004 (1) Å] and makes dihedral angles of 26.21 (8) and 38.66 (8)° with the two benzene rings. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming zigzag chains along [1-11]. In addition, a weak C—H⋯π intreraction is also observed.
doi:10.1107/S1600536812026761
PMCID: PMC3393938  PMID: 22798803
23.  1-{[(2,3-Dihydro-1H-inden-2-yl)­oxy]meth­yl}quinazoline-2,4(1H,3H)-dione 
In the title mol­ecule, C18H16N2O3, the five-membered ring has an envelope conformation, with the substituted C atom deviating by 0.342 (4) Å from the mean plane P calculated for the remainder of the non-H atoms of the 2,3-dihydro-1H-indene fragment. The mean planes of quinazoline-2,4(1H,3H)-dione fragment and P form a dihedral angle of 59.08 (4)°. In the crystal, pairs of N—H⋯O hydrogen bonds link mol­ecules into inversion dimers, and weak C—H⋯O hydrogen bonds and π–π inter­actions between the benzene rings of the quinazoline ring systems [centroid–centroid distance = 3.538 (3) Å] further consolidate the packing.
doi:10.1107/S1600536812022350
PMCID: PMC3379431  PMID: 22719629
24.  4-Chloro-2-[(4-chloro­benzyl­idene)amino]­phenol 
In the title Schiff base compound, C13H9Cl2NO, the mol­ecule displays an E conformation about the imine C=N double bond, with a dihedral angle of 8.09 (11)° between the two benzene rings. In the crystal, mol­ecules are linked by a single O—H⋯O hydrogen bond, giving one-dimensional chains which extend along (100).
doi:10.1107/S1600536812019770
PMCID: PMC3379291  PMID: 22719489
25.  3-Anilinomethyl-5-chloro-1,3-­benzoxazol-2(3H)-one 
In the title compound, C14H11ClN2O2, the 2,3-dihydro-1,3-benzoxazole ring system is essentially planar [maximum deviation = 0.009 (2) Å] and makes a dihedral angle of 79.15 (7)° with the phenyl ring. Inter­molecular N—H⋯O and weak C—H⋯Cl hydrogen bonds occur in the crystal structure.
doi:10.1107/S1600536812017709
PMCID: PMC3344645  PMID: 22590407

Results 1-25 (179)