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ABSTRACT: The title compound, C27H29F3O5, is a liquid crystal (LC) and exhibits enanti-otropic SmA phase transitions. In the crystal, the dihedral angle between the 2H-chromene ring system and the benzene ring is 62.97 (2)°. The three F atoms of the -CF3 group are disordered over two sets of sites with occupancy factors 0.71 (4):0.29 (4). In the crystal, pairs of C-H⋯O hydrogen bonds form inversion dimers and generate R 2 (2)(10) rings. The structure also features C-H⋯F and C-H⋯π inter-actions along [100] and [010], respectively.
Acta Crystallographica Section E Structure Reports Online 04/2013; 69(Pt 4):o621-2. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(20)H(19)FN(2)O(2), the dihedral angle between the aromatic rings is 62.1 (1)°, and those between the pyrazole ring and the fluoro-benzene and benzoic acid rings are 52.1 (1) and 53.1 (1)°, respectively. In the crystal, mol-ecules are linked into [010] C(7) chains by O-H⋯N hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o176. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(18)H(18)F(2)N(2)O(3)S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best fit plane throught the six non-H atoms of the piperazine ring is 69.4 (2)°, while those between the fluoro-benzene and sulfonyl rings and the fluoro-benzene and piperazine rings are 30.97 (2) and 75.98 (2)°, respectively. In the crystal, mol-ecules are connected to form a tetra-meric unit through C-H⋯O hydrogen bonds. The structure is further stabilized by weak inter-molecular C-H⋯F inter-actions, generating C(8) and C(7) chains running along [100].
Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o185. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(15)H(11)BrO(3), the dihedral angle between the naphtho-furan ring system (r.m.s. deviation = 0.022 Å) and the side chain is 4.50 (2)°. In the crystal, short Br⋯Br [3.4435 (7) Å] contacts propagating along [010] in a zigzag manner and weak π-π inter-actions [shortest centroid-centroid separation = 3.573 (2) Å] directedalong [100] are observed.
Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o198. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(24)H(26)O(5), the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.029 (2) Å from the best-fit mean plane incorporating both rings. The dihedral angle between the 2H-chromene ring system and the benzene ring is 21.00 (1)°. In the crystal, pairs of C-H⋯O hydrogen bonds generate an R(2) (2)(8) ring pattern. These contacts are bolstered by weaker bifurcated C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o212. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(27)H(22)N(2)O(4), the dihedral angles between the central benzene ring and the cyano-benzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014 Å) are 22.95 (11) and 75.59 (8)°, respectively. Both terminal C atoms of the pendant diethyl-amino group lie to the same side of the coumarin ring system [deviations = 1.366 (2) and 1.266 (2) Å]. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds and a C-H⋯π inter-action, generating a three-dimensional network.
Acta Crystallographica Section E Structure Reports Online 02/2013; 69(Pt 2):o266. · 0.35 Impact Factor
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ABSTRACT: In the title compound, CHNO, the piperazine ring adopts a chair conformation. The mol-ecule adopts an conformation across the C=N double bond, with the -OH group and the piperazine ring to one another. Further, the H atom of the hy-droxy group is directed away from the NH group. An intra-molecular N-H⋯O contact occurs involving the NH group and the oxime O atom. In the crystal, mol-ecules are linked strong N-H⋯O and O-H⋯N hydrogen bonds with alternating (6) and (9) motifs into tetra-meric units forming (28) motifs.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3347. · 0.35 Impact Factor
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ABSTRACT: In the title compound, CHClFN, the dihedral angle between the benzene and pyridine rings is 59.8 (3)°. In the crystal, mol-ecules are stacked in columns along the axis through weak C-H⋯π inter-actions.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3370. · 0.35 Impact Factor
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ABSTRACT: In the title compound, CHO, the dihedral angle between the benzene rings is 67.18 (8)°. The C-C-O-C (a = aromatic and m = methyl-ene) torsion angle is 172.6 (3)° and an intra-molecular O-H⋯O hydrogen bond generates an (6) ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into zigzag chains propagating in [001] and C-H⋯π inter-actions also occur.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3382. · 0.35 Impact Factor
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ABSTRACT: The title compound, CHClNO, crystallizes with two independent mol-ecules in the asymmetric unit. The compound adopts an configuration across the C=N double bond, as the -OH group and the benzene ring are on opposite sides of the double bond while the H atom of the hy-droxy group is directed away from the -NH group. In the crystal, mol-ecules are linked to one another through O-H⋯N and N-H⋯O hydrogen bonds, forming chains along [010].
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3402. · 0.35 Impact Factor
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ABSTRACT: In the crystal of the title compound, CHN, the mol-ecule is nearly planar, the dihedral angles between the pyrimidine and the two pyrrolidine rings being 4.71 (2) and 4.50 (2)°. The crystal features inversion-related dimers linked by pairs of C-H⋯N hydrogen bonds generating (16) patterns. The dimeric units are further linked into (6) chains an additional C-H⋯N hydrogen bond.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3440. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title compound, CHNO, contains two independent mol-ecules in which the dihedral angles between the benzene rings are 89.27 (16) and 77.14 (12)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating (8) chains propagating in [010] for one mol-ecule and [001] (8) chains for the other. The chains are connected by C-H⋯O hydrogen bonds and π-π inter-actions [shortest centroid-centroid distance = 3.5908 (12)°], generating a three-dimensional network.
Acta Crystallographica Section E Structure Reports Online 12/2012; 68(Pt 12):o3490. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(19)H(13)NO(4)S, the mol-ecule is twisted at the S atom with a C-S-N-C torsion angle of -65.2 (2)° between the benzene ring and the -SO(2)-NH-C=O segment. The dihedral angle between the benzene and the naphtho-furan ring system is 83.3 (1)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into chains running along the c axis. An intra-molecular N-H⋯O(furan) inter-action is also observed.
Acta Crystallographica Section E Structure Reports Online 12/2011; 67(Pt 12):o3491. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C31H38O3, the central benzene ring makes dihedral angles of 66.06 (9) and 65.21 (8)°, respectively, with the benzyl and 4-decylphenyl rings.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the title compound, C(31)H(38)O(3), the central benzene ring makes dihedral angles of 66.06 (9) and 65.21 (8)°, respectively, with the benzyl and 4-decyl-phenyl rings.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 8):o2126. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(9)H(10)N(2)O(3), crystallizes with one and a half mol-ecules in the asymmetric unit, one lying on a general position and the other on a twofold rotation axis. The dihedral angle between the two independent benzimidazole ring systems is 18.96 (5)°. In the crystal, mol-ecules are linked into a three-dimensional network by O-H⋯O hydrogen bonding involving N-hydroxy-methyl and carbonyl groups, and C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2735. · 0.35 Impact Factor
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ABSTRACT: The title compound, C9H10N2O3, crystallizes with one and a half molecules in the asymmetric unit, one lying on a general position and the other on a twofold rotation axis. The dihedral angle between the two independent benzimidazole ring systems is 18.96 (5)°. In the crystal, molecules are linked into a three-dimensional network by O—H...O hydrogen bonding involving N-hydroxymethyl and carbonyl groups, and C—H...O hydrogen bonds.
Acta Crystallographica Section E. 01/2009;
