Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title compound, C26H46N2O, also known as cyclo­virobuxine D, has for the first time been isolated from Buxus papilosa. It has a steroid nucleus in trans/cis/trans configuration. Two of the three cyclo­hexane rings adopt half-chair conformations and the third ring, with an equatorially attached methyl­amino substituent, is in a chair conformation. The cyclo­pentane ring has a half-chair conformation and the N-methyl­amino­ethane group is equatorially attached to it. N—H...O and C—H...N interactions are observed in the molecular structure and the crystal structure is stabilized by van der Waals interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022499/ci6287sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022499/ci6287Isup2.hkl
Contains datablock I

CCDC reference: 226994

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.064
  • wR factor = 0.192
  • Data-to-parameter ratio = 8.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O1 - H1O ... ?
Alert level C PLAT024_ALERT_4_C Merging of Friedel Data Preferred for Z<=Si .... ! PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C4 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1N ... ?
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _reflns_number_total 4093 Count of symmetry unique reflns 2336 Completeness (_total/calc) 175.21% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1757 Fraction of Friedel pairs measured 0.752 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990).

4,4,14-Trimethyl-3α,20-bis(methylamino)-9,19-cyclo-5α-pregnan-16-ol top
Crystal data top
C26H46N2OF(000) = 448
Mr = 402.65Dx = 1.096 Mg m3
Monoclinic, P21Melting point: 478-483 K K
Hall symbol: P 2ybMo Kα radiation, λ = 0.71073 Å
a = 13.410 (3) ÅCell parameters from 8359 reflections
b = 6.7225 (13) Åθ = 1.5–25.0°
c = 13.946 (3) ŵ = 0.07 mm1
β = 104.032 (4)°T = 293 K
V = 1219.6 (4) Å3Plate, colourless
Z = 20.58 × 0.27 × 0.19 mm
Data collection top
Siemens SMART CCD area-detector
diffractometer
4093 independent reflections
Radiation source: fine-focus sealed tube2925 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
Detector resolution: 8.33 pixels mm-1θmax = 25.0°, θmin = 1.5°
ω scansh = 1415
Absorption correction: multi-scan
(SABABS; Sheldrick, 1996)
k = 77
Tmin = 0.963, Tmax = 0.988l = 1616
6796 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.064Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.192H atoms treated by a mixture of independent and constrained refinement
S = 1.03 w = 1/[σ2(Fo2) + 0.1417P]
where P = (Fo2 + 2Fc2)/3
2333 reflections(Δ/σ)max = 0.001
263 parametersΔρmax = 0.15 e Å3
0 restraintsΔρmin = 0.15 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
N10.1306 (4)0.6352 (8)0.4965 (4)0.1131 (15)
H1N0.09340.60810.54070.136*
N20.9700 (3)0.4485 (8)1.1314 (3)0.0936 (12)
H2N0.99570.37921.08690.112*
O10.9581 (2)0.3189 (7)0.9244 (3)0.1019 (11)
H1O0.95930.43210.90270.153*
C10.3660 (4)0.7670 (8)0.7026 (4)0.0885 (13)
H1A0.39830.85740.66510.106*
H1B0.37200.82410.76760.106*
C20.2545 (4)0.7430 (8)0.6514 (4)0.0946 (14)
H2A0.22180.87260.64420.113*
H2B0.22140.66180.69220.113*
C30.2389 (4)0.6475 (8)0.5504 (4)0.0906 (14)
H30.27260.73470.51150.109*
C40.2926 (4)0.4462 (8)0.5557 (3)0.0851 (13)
C50.4068 (3)0.4753 (7)0.6101 (3)0.0764 (11)
H50.43250.57570.57110.092*
C60.4759 (4)0.2979 (10)0.6113 (4)0.0973 (15)
H6A0.47270.25630.54400.117*
H6B0.45240.18820.64540.117*
C70.5855 (4)0.3489 (10)0.6627 (4)0.0982 (16)
H7A0.60580.46900.63390.118*
H7B0.63050.24210.65270.118*
C80.5971 (3)0.3801 (6)0.7728 (3)0.0737 (11)
H80.57790.25360.79820.088*
C90.5183 (3)0.5366 (6)0.7918 (3)0.0697 (11)
C100.4200 (3)0.5702 (7)0.7126 (3)0.0708 (11)
C110.5633 (4)0.7153 (7)0.8552 (4)0.0878 (13)
H11A0.50920.77370.88130.105*
H11B0.58310.81360.81240.105*
C120.6561 (4)0.6770 (8)0.9421 (4)0.0866 (13)
H12A0.70690.78000.94250.104*
H12B0.63410.68811.00320.104*
C130.7070 (3)0.4759 (7)0.9400 (3)0.0689 (11)
C140.7058 (3)0.4231 (6)0.8312 (3)0.0724 (11)
C150.7765 (4)0.2446 (9)0.8441 (4)0.0897 (14)
H15A0.80770.23270.78850.108*
H15B0.73850.12360.84870.108*
C160.8595 (3)0.2794 (8)0.9405 (3)0.0833 (13)
H160.86350.16270.98330.100*
C170.8232 (3)0.4600 (8)0.9906 (3)0.0762 (11)
H170.85630.57740.97050.091*
C180.6469 (4)0.3219 (9)0.9849 (3)0.0900 (14)
H18A0.57490.33280.95380.135*
H18B0.65770.34591.05450.135*
H18C0.67040.19060.97450.135*
C190.4184 (3)0.4480 (9)0.8016 (3)0.0819 (12)
H19A0.40960.30540.79290.098*
H19B0.38630.50520.85050.098*
C200.8564 (3)0.4502 (10)1.1027 (3)0.0870 (13)
H200.83020.32751.12550.104*
C210.8213 (4)0.6266 (12)1.1533 (4)0.115 (2)
H21A0.85650.62681.22200.173*
H21B0.74860.61771.14700.173*
H21C0.83660.74731.12290.173*
C220.7558 (4)0.5897 (10)0.7820 (4)0.0958 (15)
H22A0.76530.54350.71970.144*
H22B0.82120.62450.82440.144*
H22C0.71190.70450.77160.144*
C230.0893 (5)0.8103 (13)0.4440 (7)0.153 (3)
H23A0.02180.78280.40400.229*
H23B0.13300.85210.40250.229*
H23C0.08540.91410.49020.229*
C241.0121 (4)0.3731 (12)1.2310 (4)0.121 (2)
H24A1.08550.36201.24270.182*
H24B0.98330.24461.23770.182*
H24C0.99540.46311.27820.182*
C250.2852 (5)0.3740 (13)0.4504 (4)0.125 (2)
H25A0.21430.36930.41480.188*
H25B0.31470.24360.45230.188*
H25C0.32190.46400.41780.188*
C260.2390 (4)0.2943 (9)0.6076 (5)0.1146 (19)
H26A0.16680.29280.57660.172*
H26B0.24910.33000.67590.172*
H26C0.26740.16470.60280.172*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N10.089 (3)0.105 (4)0.139 (4)0.012 (3)0.016 (3)0.009 (3)
N20.082 (2)0.118 (3)0.086 (3)0.004 (3)0.0318 (19)0.005 (3)
O10.087 (2)0.126 (3)0.106 (2)0.003 (2)0.0475 (17)0.006 (2)
C10.093 (3)0.072 (3)0.096 (3)0.009 (3)0.015 (2)0.002 (2)
C20.099 (4)0.076 (3)0.107 (4)0.009 (3)0.021 (3)0.002 (3)
C30.087 (3)0.078 (3)0.105 (4)0.010 (3)0.022 (3)0.010 (3)
C40.097 (3)0.073 (3)0.089 (3)0.015 (3)0.031 (2)0.000 (3)
C50.086 (3)0.069 (3)0.079 (3)0.005 (2)0.032 (2)0.000 (2)
C60.100 (4)0.107 (4)0.089 (3)0.007 (3)0.030 (3)0.028 (3)
C70.094 (3)0.116 (4)0.092 (3)0.012 (3)0.037 (3)0.026 (3)
C80.089 (3)0.063 (2)0.080 (3)0.001 (2)0.042 (2)0.0070 (19)
C90.080 (3)0.061 (2)0.076 (2)0.0038 (19)0.036 (2)0.0024 (19)
C100.080 (3)0.058 (2)0.082 (3)0.004 (2)0.033 (2)0.006 (2)
C110.095 (3)0.069 (3)0.103 (3)0.007 (2)0.029 (3)0.015 (2)
C120.086 (3)0.085 (3)0.091 (3)0.007 (2)0.026 (2)0.016 (3)
C130.073 (2)0.070 (3)0.071 (2)0.002 (2)0.032 (2)0.001 (2)
C140.083 (3)0.066 (3)0.081 (2)0.003 (2)0.045 (2)0.004 (2)
C150.088 (3)0.092 (3)0.100 (3)0.008 (3)0.043 (3)0.008 (3)
C160.078 (3)0.092 (3)0.092 (3)0.008 (2)0.042 (2)0.002 (3)
C170.083 (3)0.079 (3)0.079 (3)0.001 (2)0.042 (2)0.006 (2)
C180.089 (3)0.106 (4)0.086 (3)0.004 (3)0.043 (2)0.016 (3)
C190.083 (3)0.087 (3)0.086 (3)0.002 (3)0.042 (2)0.004 (3)
C200.080 (3)0.107 (4)0.083 (3)0.005 (3)0.037 (2)0.001 (3)
C210.095 (4)0.165 (6)0.090 (3)0.026 (4)0.030 (3)0.023 (4)
C220.101 (3)0.111 (4)0.086 (3)0.020 (3)0.043 (3)0.009 (3)
C230.104 (4)0.121 (6)0.213 (8)0.009 (5)0.003 (4)0.012 (6)
C240.097 (4)0.165 (7)0.101 (4)0.024 (4)0.023 (3)0.010 (4)
C250.122 (5)0.141 (6)0.106 (4)0.010 (4)0.014 (3)0.022 (4)
C260.103 (4)0.083 (4)0.154 (5)0.023 (3)0.023 (3)0.017 (4)
Geometric parameters (Å, º) top
N1—C231.425 (9)C12—H12A0.97
N1—C31.468 (6)C12—H12B0.97
N1—H1N0.90C13—C181.536 (6)
N2—C241.457 (7)C13—C171.550 (6)
N2—C201.478 (5)C13—C141.556 (6)
N2—H2N0.91C14—C151.513 (7)
O1—C161.419 (5)C14—C221.548 (7)
O1—H1O0.82C15—C161.542 (7)
C1—C101.499 (7)C15—H15A0.97
C1—C21.501 (6)C15—H15B0.97
C1—H1A0.97C16—C171.538 (7)
C1—H1B0.97C16—H160.98
C2—C31.516 (7)C17—C201.519 (6)
C2—H2A0.97C17—H170.98
C2—H2B0.97C18—H18A0.96
C3—C41.526 (7)C18—H18B0.96
C3—H30.98C18—H18C0.96
C4—C251.527 (7)C19—H19A0.97
C4—C261.528 (7)C19—H19B0.97
C4—C51.548 (6)C20—C211.512 (8)
C5—C61.508 (7)C20—H200.98
C5—C101.535 (6)C21—H21A0.96
C5—H50.98C21—H21B0.96
C6—C71.509 (7)C21—H21C0.96
C6—H6A0.97C22—H22A0.96
C6—H6B0.97C22—H22B0.96
C7—C81.520 (6)C22—H22C0.96
C7—H7A0.97C23—H23A0.96
C7—H7B0.97C23—H23B0.96
C8—C141.515 (6)C23—H23C0.96
C8—C91.559 (5)C24—H24A0.96
C8—H80.98C24—H24B0.96
C9—C191.502 (6)C24—H24C0.96
C9—C101.518 (6)C25—H25A0.96
C9—C111.526 (6)C25—H25B0.96
C10—C191.493 (6)C25—H25C0.96
C11—C121.534 (7)C26—H26A0.96
C11—H11A0.97C26—H26B0.96
C11—H11B0.97C26—H26C0.96
C12—C131.517 (7)
C23—N1—C3115.4 (5)C12—C13—C14108.9 (4)
C23—N1—H1N108.0C18—C13—C14111.2 (4)
C3—N1—H1N107.7C17—C13—C14101.5 (3)
C24—N2—C20113.4 (4)C15—C14—C8114.0 (4)
C24—N2—H2N110.5C15—C14—C22107.5 (3)
C20—N2—H2N110.9C8—C14—C22111.3 (4)
C16—O1—H1O109.5C15—C14—C13101.9 (4)
C10—C1—C2110.6 (4)C8—C14—C13110.4 (3)
C10—C1—H1A109.5C22—C14—C13111.3 (4)
C2—C1—H1A109.5C14—C15—C16106.4 (4)
C10—C1—H1B109.5C14—C15—H15A110.4
C2—C1—H1B109.5C16—C15—H15A110.4
H1A—C1—H1B108.1C14—C15—H15B110.4
C1—C2—C3112.6 (4)C16—C15—H15B110.4
C1—C2—H2A109.1H15A—C15—H15B108.6
C3—C2—H2A109.1O1—C16—C17109.6 (4)
C1—C2—H2B109.1O1—C16—C15113.2 (3)
C3—C2—H2B109.1C17—C16—C15106.0 (4)
H2A—C2—H2B107.8O1—C16—H16109.3
N1—C3—C2113.3 (4)C17—C16—H16109.3
N1—C3—C4111.8 (4)C15—C16—H16109.3
C2—C3—C4111.9 (4)C20—C17—C16112.8 (4)
N1—C3—H3106.4C20—C17—C13118.9 (3)
C2—C3—H3106.4C16—C17—C13104.0 (4)
C4—C3—H3106.4C20—C17—H17106.8
C3—C4—C25108.4 (5)C16—C17—H17106.8
C3—C4—C26110.2 (4)C13—C17—H17106.8
C25—C4—C26108.3 (5)C13—C18—H18A109.5
C3—C4—C5108.1 (4)C13—C18—H18B109.5
C25—C4—C5109.8 (4)H18A—C18—H18B109.5
C26—C4—C5112.1 (4)C13—C18—H18C109.5
C6—C5—C10112.8 (4)H18A—C18—H18C109.5
C6—C5—C4116.0 (4)H18B—C18—H18C109.5
C10—C5—C4112.7 (3)C10—C19—C960.9 (3)
C6—C5—H5104.7C10—C19—H19A117.7
C10—C5—H5104.7C9—C19—H19A117.7
C4—C5—H5104.7C10—C19—H19B117.7
C5—C6—C7110.5 (5)C9—C19—H19B117.7
C5—C6—H6A109.5H19A—C19—H19B114.8
C7—C6—H6A109.5N2—C20—C21107.2 (4)
C5—C6—H6B109.5N2—C20—C17107.8 (3)
C7—C6—H6B109.5C21—C20—C17113.5 (5)
H6A—C6—H6B108.1N2—C20—H20109.4
C6—C7—C8111.2 (3)C21—C20—H20109.4
C6—C7—H7A109.4C17—C20—H20109.4
C8—C7—H7A109.4C20—C21—H21A109.5
C6—C7—H7B109.4C20—C21—H21B109.5
C8—C7—H7B109.4H21A—C21—H21B109.5
H7A—C7—H7B108.0C20—C21—H21C109.5
C14—C8—C7114.8 (3)H21A—C21—H21C109.5
C14—C8—C9112.5 (3)H21B—C21—H21C109.5
C7—C8—C9110.9 (4)C14—C22—H22A109.5
C14—C8—H8105.9C14—C22—H22B109.5
C7—C8—H8105.9H22A—C22—H22B109.5
C9—C8—H8105.9C14—C22—H22C109.5
C19—C9—C1059.3 (3)H22A—C22—H22C109.5
C19—C9—C11119.7 (4)H22B—C22—H22C109.5
C10—C9—C11117.2 (4)N1—C23—H23A109.5
C19—C9—C8113.8 (4)N1—C23—H23B109.5
C10—C9—C8118.8 (3)H23A—C23—H23B109.5
C11—C9—C8116.1 (4)N1—C23—H23C109.5
C19—C10—C1117.3 (4)H23A—C23—H23C109.5
C19—C10—C959.8 (3)H23B—C23—H23C109.5
C1—C10—C9120.9 (4)N2—C24—H24A109.5
C19—C10—C5121.6 (4)N2—C24—H24B109.5
C1—C10—C5109.7 (4)H24A—C24—H24B109.5
C9—C10—C5120.0 (3)N2—C24—H24C109.5
C9—C11—C12117.2 (4)H24A—C24—H24C109.5
C9—C11—H11A108.0H24B—C24—H24C109.5
C12—C11—H11A108.0C4—C25—H25A109.5
C9—C11—H11B108.0C4—C25—H25B109.5
C12—C11—H11B108.0H25A—C25—H25B109.5
H11A—C11—H11B107.2C4—C25—H25C109.5
C13—C12—C11114.7 (4)H25A—C25—H25C109.5
C13—C12—H12A108.6H25B—C25—H25C109.5
C11—C12—H12A108.6C4—C26—H26A109.5
C13—C12—H12B108.6C4—C26—H26B109.5
C11—C12—H12B108.6H26A—C26—H26B109.5
H12A—C12—H12B107.6C4—C26—H26C109.5
C12—C13—C18108.1 (3)H26A—C26—H26C109.5
C12—C13—C17117.4 (4)H26B—C26—H26C109.5
C18—C13—C17109.7 (4)
C10—C1—C2—C357.1 (6)C10—C9—C11—C12173.9 (4)
C23—N1—C3—C283.5 (7)C8—C9—C11—C1237.5 (6)
C23—N1—C3—C4148.8 (6)C9—C11—C12—C1313.6 (6)
C1—C2—C3—N1176.1 (4)C11—C12—C13—C1883.3 (5)
C1—C2—C3—C456.3 (6)C11—C12—C13—C17152.1 (4)
N1—C3—C4—C2559.0 (5)C11—C12—C13—C1437.6 (5)
C2—C3—C4—C25172.6 (4)C7—C8—C14—C1572.4 (5)
N1—C3—C4—C2659.3 (6)C9—C8—C14—C15159.5 (3)
C2—C3—C4—C2669.1 (5)C7—C8—C14—C2249.4 (5)
N1—C3—C4—C5177.9 (4)C9—C8—C14—C2278.7 (4)
C2—C3—C4—C553.7 (5)C7—C8—C14—C13173.6 (4)
C3—C4—C5—C6172.4 (4)C9—C8—C14—C1345.4 (5)
C25—C4—C5—C654.4 (6)C12—C13—C14—C15169.1 (4)
C26—C4—C5—C666.0 (5)C18—C13—C14—C1571.9 (4)
C3—C4—C5—C1055.5 (5)C17—C13—C14—C1544.7 (4)
C25—C4—C5—C10173.5 (5)C12—C13—C14—C869.5 (4)
C26—C4—C5—C1066.1 (6)C18—C13—C14—C849.5 (5)
C10—C5—C6—C750.4 (5)C17—C13—C14—C8166.1 (3)
C4—C5—C6—C7177.6 (4)C12—C13—C14—C2254.7 (5)
C5—C6—C7—C869.0 (6)C18—C13—C14—C22173.7 (4)
C6—C7—C8—C14177.4 (5)C17—C13—C14—C2269.7 (4)
C6—C7—C8—C953.6 (6)C8—C14—C15—C16152.9 (3)
C14—C8—C9—C19138.7 (4)C22—C14—C15—C1683.2 (4)
C7—C8—C9—C1991.1 (4)C13—C14—C15—C1633.9 (4)
C14—C8—C9—C10154.5 (3)C14—C15—C16—O1110.1 (5)
C7—C8—C9—C1024.4 (5)C14—C15—C16—C1710.0 (5)
C14—C8—C9—C116.4 (5)O1—C16—C17—C2089.3 (4)
C7—C8—C9—C11123.7 (4)C15—C16—C17—C20148.3 (4)
C2—C1—C10—C1987.3 (5)O1—C16—C17—C13140.6 (4)
C2—C1—C10—C9156.8 (4)C15—C16—C17—C1318.1 (4)
C2—C1—C10—C556.8 (5)C12—C13—C17—C2076.5 (6)
C11—C9—C10—C19110.1 (4)C18—C13—C17—C2047.3 (6)
C8—C9—C10—C19102.1 (4)C14—C13—C17—C20165.0 (5)
C19—C9—C10—C1105.7 (5)C12—C13—C17—C16157.1 (4)
C11—C9—C10—C14.4 (6)C18—C13—C17—C1679.1 (4)
C8—C9—C10—C1152.2 (4)C14—C13—C17—C1638.6 (4)
C19—C9—C10—C5111.3 (5)C1—C10—C19—C9111.6 (4)
C11—C9—C10—C5138.6 (4)C5—C10—C19—C9108.7 (4)
C8—C9—C10—C59.2 (5)C11—C9—C19—C10105.8 (4)
C6—C5—C10—C1949.2 (5)C8—C9—C19—C10110.4 (4)
C4—C5—C10—C1984.5 (5)C24—N2—C20—C2177.0 (6)
C6—C5—C10—C1168.5 (4)C24—N2—C20—C17160.4 (5)
C4—C5—C10—C157.8 (5)C16—C17—C20—N261.4 (6)
C6—C5—C10—C921.8 (5)C13—C17—C20—N2176.5 (4)
C4—C5—C10—C9155.4 (4)C16—C17—C20—C21180.0 (4)
C19—C9—C11—C12105.5 (5)C13—C17—C20—C2157.9 (6)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2N···O10.912.242.982 (6)139
C25—H25A···N10.962.522.905 (9)104
C26—H26A···N10.962.552.945 (8)105
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds