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In the title compound, C14H17NO, there are two crystallographically independent mol­ecules in the asymmetric unit. The cyclo­hexene rings adopt an envelope conformation. Adjacent mol­ecules are linked via N—H...O hydrogen bonds to form dimers and these form one-dimensional chains along the [20\overline{1}] direction. These chains are inter­connected by weak inter­molecular C—H...O inter­actions. N—H...π inter­actions are also observed in the crystal structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806055097/sj2203sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806055097/sj2203Isup2.hkl
Contains datablock I

CCDC reference: 638528

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.052
  • wR factor = 0.147
  • Data-to-parameter ratio = 11.1

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.55 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.63 Ratio PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.37 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT420_ALERT_2_C D-H Without Acceptor N1A - H1NA ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1B - H1NB ... ? PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 16
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 29.00 From the CIF: _reflns_number_total 3248 Count of symmetry unique reflns 3249 Completeness (_total/calc) 99.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 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 5 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

3-Amino-5,5-dimethyl-2-phenylcyclohex-2-en-1-one top
Crystal data top
C14H17NOF(000) = 464
Mr = 215.29Dx = 1.174 Mg m3
Monoclinic, PcMelting point = 443–444 K
Hall symbol: P -2ycMo Kα radiation, λ = 0.71073 Å
a = 6.1044 (1) ÅCell parameters from 3248 reflections
b = 10.1495 (2) Åθ = 2.0–29.0°
c = 20.4177 (4) ŵ = 0.07 mm1
β = 105.691 (1)°T = 100 K
V = 1217.87 (4) Å3Block, pale yellow
Z = 40.60 × 0.20 × 0.12 mm
Data collection top
Bruker SMART APEX2 CCD area-detector
diffractometer
3248 independent reflections
Radiation source: fine-focus sealed tube2641 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.042
Detector resolution: 8.33 pixels mm-1θmax = 29.0°, θmin = 2.0°
ω scansh = 88
Absorption correction: multi-scan
(SADABS; Bruker, 2005)
k = 1313
Tmin = 0.957, Tmax = 0.991l = 2727
20888 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)] = 0.052Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.147H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0821P)2 + 0.1433P]
where P = (Fo2 + 2Fc2)/3
3248 reflections(Δ/σ)max < 0.001
293 parametersΔρmax = 0.33 e Å3
2 restraintsΔρmin = 0.22 e Å3
Special details top

Experimental. The data was collected with the Oxford Cyrosystem Cobra low-temperature attachment.

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
O1A1.1442 (3)0.6380 (2)0.42204 (10)0.0368 (5)
N1A0.8241 (5)0.4729 (3)0.59250 (15)0.0482 (7)
H1NA0.76840.54800.59920.058*
H2NA0.80430.40530.61560.058*
C1A0.9412 (5)0.4614 (3)0.54621 (15)0.0382 (7)
C2A1.0349 (6)0.3260 (3)0.54061 (17)0.0461 (8)
H2AA0.93380.26110.55160.055*
H2AB1.18170.31780.57380.055*
C3A1.0627 (6)0.2962 (3)0.47022 (18)0.0445 (8)
C4A1.1945 (6)0.4114 (3)0.45010 (17)0.0449 (8)
H4AA1.35110.40720.47760.054*
H4AB1.19540.39980.40300.054*
C5A1.1021 (4)0.5474 (3)0.45782 (14)0.0334 (6)
C6A0.9787 (5)0.5667 (3)0.50745 (14)0.0326 (6)
C7A0.8947 (4)0.6998 (3)0.51894 (13)0.0287 (5)
C8A0.6668 (5)0.7327 (3)0.49911 (15)0.0345 (6)
H8AA0.56090.67130.47590.041*
C9A0.5936 (5)0.8565 (3)0.51341 (18)0.0450 (8)
H9AA0.43970.87720.49860.054*
C10A0.7428 (7)0.9478 (3)0.54863 (18)0.0518 (9)
H10A0.69211.02950.55910.062*
C11A0.9712 (8)0.9163 (4)0.5684 (2)0.0643 (12)
H11A1.07590.97780.59210.077*
C12A1.0461 (6)0.7946 (4)0.5534 (2)0.0516 (9)
H12A1.20100.77580.56670.062*
C13A1.1935 (9)0.1693 (4)0.4699 (3)0.0733 (14)
H13A1.33910.17510.50290.110*
H13B1.21500.15550.42560.110*
H13C1.10940.09680.48120.110*
C14A0.8265 (7)0.2844 (3)0.4183 (2)0.0535 (9)
H14A0.74240.21430.43180.080*
H14B0.84540.26590.37410.080*
H14C0.74510.36570.41690.080*
O1B0.7024 (5)0.2456 (2)0.65578 (13)0.0586 (7)
N1B0.4217 (4)0.4185 (2)0.83183 (12)0.0317 (5)
H1NB0.47340.49600.82790.038*
H2NB0.35220.40310.86250.038*
C1B0.4492 (4)0.3222 (3)0.79044 (13)0.0295 (6)
C2B0.3556 (5)0.1897 (3)0.80165 (17)0.0417 (7)
H2BA0.19940.18350.77400.050*
H2BB0.35470.18250.84890.050*
C3B0.4905 (7)0.0754 (3)0.78428 (19)0.0521 (9)
C4B0.5136 (8)0.0978 (4)0.7128 (2)0.0588 (11)
H4BA0.36610.08460.68060.071*
H4BB0.61630.03200.70340.071*
C5B0.6015 (6)0.2342 (3)0.70091 (17)0.0420 (7)
C6B0.5595 (4)0.3417 (3)0.74038 (13)0.0292 (6)
C7B0.6461 (4)0.4759 (3)0.73004 (13)0.0262 (5)
C8B0.5026 (5)0.5727 (3)0.69315 (15)0.0339 (6)
H8BA0.34920.55420.67450.041*
C9B0.5865 (6)0.6966 (3)0.68401 (17)0.0400 (7)
H9BA0.48860.76070.65980.048*
C10B0.8161 (5)0.7254 (3)0.71093 (15)0.0368 (6)
H10B0.87270.80770.70390.044*
C11B0.9588 (5)0.6309 (3)0.74800 (15)0.0367 (6)
H11B1.11210.64980.76670.044*
C12B0.8739 (4)0.5073 (3)0.75754 (14)0.0323 (6)
H12B0.97170.44440.78290.039*
C13B0.7257 (7)0.0692 (3)0.8350 (2)0.0536 (9)
H13D0.80400.15090.83410.080*
H13G0.81130.00170.82280.080*
H13E0.70950.05440.87990.080*
C14B0.3643 (9)0.0546 (4)0.7874 (2)0.0689 (13)
H14G0.21920.05310.75410.103*
H14D0.34210.06490.83190.103*
H14E0.45280.12700.77820.103*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O1A0.0392 (10)0.0452 (12)0.0321 (10)0.0080 (9)0.0204 (8)0.0007 (9)
N1A0.0805 (19)0.0330 (14)0.0475 (16)0.0096 (13)0.0456 (15)0.0075 (12)
C1A0.0490 (16)0.0387 (16)0.0340 (15)0.0071 (13)0.0236 (13)0.0034 (13)
C2A0.065 (2)0.0402 (18)0.0432 (18)0.0168 (15)0.0318 (16)0.0084 (15)
C3A0.063 (2)0.0358 (17)0.0493 (19)0.0096 (14)0.0400 (16)0.0043 (13)
C4A0.0513 (17)0.049 (2)0.0453 (18)0.0096 (15)0.0321 (14)0.0030 (15)
C5A0.0313 (13)0.0434 (16)0.0295 (13)0.0029 (11)0.0148 (10)0.0031 (12)
C6A0.0357 (12)0.0363 (15)0.0309 (14)0.0037 (11)0.0179 (11)0.0049 (11)
C7A0.0341 (12)0.0327 (14)0.0229 (12)0.0021 (10)0.0137 (9)0.0036 (10)
C8A0.0336 (13)0.0358 (15)0.0361 (14)0.0003 (11)0.0132 (10)0.0029 (12)
C9A0.0467 (16)0.0430 (18)0.0522 (19)0.0116 (14)0.0253 (14)0.0075 (14)
C10A0.096 (3)0.0292 (16)0.0357 (16)0.0016 (17)0.0278 (17)0.0031 (13)
C11A0.094 (3)0.0345 (19)0.049 (2)0.0181 (19)0.007 (2)0.0026 (16)
C12A0.0439 (17)0.0454 (19)0.055 (2)0.0127 (14)0.0041 (14)0.0087 (16)
C13A0.111 (4)0.051 (2)0.083 (3)0.027 (2)0.070 (3)0.011 (2)
C14A0.079 (2)0.0429 (18)0.052 (2)0.0132 (17)0.0403 (18)0.0069 (15)
O1B0.107 (2)0.0336 (12)0.0600 (16)0.0084 (13)0.0654 (16)0.0081 (11)
N1B0.0345 (11)0.0366 (12)0.0307 (12)0.0044 (9)0.0204 (9)0.0004 (10)
C1B0.0272 (11)0.0348 (15)0.0290 (13)0.0013 (10)0.0116 (10)0.0010 (11)
C2B0.0459 (15)0.0456 (18)0.0435 (17)0.0154 (13)0.0291 (13)0.0055 (14)
C3B0.084 (3)0.0354 (17)0.053 (2)0.0252 (16)0.0466 (19)0.0102 (14)
C4B0.101 (3)0.0355 (18)0.060 (2)0.0265 (18)0.057 (2)0.0188 (17)
C5B0.0621 (19)0.0336 (16)0.0417 (17)0.0093 (13)0.0333 (15)0.0078 (13)
C6B0.0327 (12)0.0317 (14)0.0285 (13)0.0055 (10)0.0172 (10)0.0051 (11)
C7B0.0300 (11)0.0288 (13)0.0243 (12)0.0004 (10)0.0151 (9)0.0018 (10)
C8B0.0314 (13)0.0354 (16)0.0328 (14)0.0044 (11)0.0053 (11)0.0056 (12)
C9B0.0512 (16)0.0311 (16)0.0349 (16)0.0115 (13)0.0070 (12)0.0024 (12)
C10B0.0508 (16)0.0285 (14)0.0333 (15)0.0051 (12)0.0151 (12)0.0024 (11)
C11B0.0364 (13)0.0375 (16)0.0389 (15)0.0027 (12)0.0148 (11)0.0023 (13)
C12B0.0302 (12)0.0329 (14)0.0358 (14)0.0031 (10)0.0120 (10)0.0067 (11)
C13B0.070 (2)0.0389 (18)0.066 (2)0.0052 (16)0.043 (2)0.0088 (16)
C14B0.115 (3)0.042 (2)0.072 (3)0.037 (2)0.064 (3)0.0143 (18)
Geometric parameters (Å, º) top
O1A—C5A1.244 (3)O1B—C5B1.245 (4)
N1A—C1A1.336 (4)N1B—C1B1.332 (4)
N1A—H1NA0.8600N1B—H1NB0.8600
N1A—H2NA0.8600N1B—H2NB0.8600
C1A—C6A1.385 (4)C1B—C6B1.382 (3)
C1A—C2A1.504 (4)C1B—C2B1.502 (4)
C2A—C3A1.522 (4)C2B—C3B1.520 (5)
C2A—H2AA0.9700C2B—H2BA0.9700
C2A—H2AB0.9700C2B—H2BB0.9700
C3A—C13A1.516 (5)C3B—C4B1.521 (5)
C3A—C4A1.537 (5)C3B—C13B1.527 (6)
C3A—C14A1.546 (6)C3B—C14B1.538 (4)
C4A—C5A1.515 (4)C4B—C5B1.528 (4)
C4A—H4AA0.9700C4B—H4BA0.9700
C4A—H4AB0.9700C4B—H4BB0.9700
C5A—C6A1.430 (4)C5B—C6B1.421 (4)
C6A—C7A1.486 (4)C6B—C7B1.497 (4)
C7A—C8A1.381 (4)C7B—C12B1.388 (4)
C7A—C12A1.387 (4)C7B—C8B1.394 (4)
C8A—C9A1.391 (4)C8B—C9B1.389 (5)
C8A—H8AA0.9300C8B—H8BA0.9300
C9A—C10A1.361 (5)C9B—C10B1.391 (4)
C9A—H9AA0.9300C9B—H9BA0.9300
C10A—C11A1.380 (6)C10B—C11B1.376 (4)
C10A—H10A0.9300C10B—H10B0.9300
C11A—C12A1.380 (6)C11B—C12B1.391 (4)
C11A—H11A0.9300C11B—H11B0.9300
C12A—H12A0.9300C12B—H12B0.9300
C13A—H13A0.9600C13B—H13D0.9600
C13A—H13B0.9600C13B—H13G0.9600
C13A—H13C0.9600C13B—H13E0.9600
C14A—H14A0.9600C14B—H14G0.9600
C14A—H14B0.9600C14B—H14D0.9600
C14A—H14C0.9600C14B—H14E0.9600
C1A—N1A—H1NA120.0C1B—N1B—H1NB120.0
C1A—N1A—H2NA120.0C1B—N1B—H2NB120.0
H1NA—N1A—H2NA120.0H1NB—N1B—H2NB120.0
N1A—C1A—C6A122.7 (3)N1B—C1B—C6B122.3 (3)
N1A—C1A—C2A114.9 (3)N1B—C1B—C2B116.2 (2)
C6A—C1A—C2A122.4 (3)C6B—C1B—C2B121.5 (2)
C1A—C2A—C3A113.3 (3)C1B—C2B—C3B113.3 (2)
C1A—C2A—H2AA108.9C1B—C2B—H2BA108.9
C3A—C2A—H2AA108.9C3B—C2B—H2BA108.9
C1A—C2A—H2AB108.9C1B—C2B—H2BB108.9
C3A—C2A—H2AB108.9C3B—C2B—H2BB108.9
H2AA—C2A—H2AB107.7H2BA—C2B—H2BB107.7
C13A—C3A—C2A111.5 (3)C2B—C3B—C4B107.8 (3)
C13A—C3A—C4A109.3 (3)C2B—C3B—C13B110.0 (3)
C2A—C3A—C4A107.5 (3)C4B—C3B—C13B110.0 (3)
C13A—C3A—C14A109.0 (3)C2B—C3B—C14B109.7 (3)
C2A—C3A—C14A109.9 (3)C4B—C3B—C14B110.2 (3)
C4A—C3A—C14A109.5 (3)C13B—C3B—C14B109.0 (4)
C5A—C4A—C3A115.4 (2)C3B—C4B—C5B114.6 (3)
C5A—C4A—H4AA108.4C3B—C4B—H4BA108.6
C3A—C4A—H4AA108.4C5B—C4B—H4BA108.6
C5A—C4A—H4AB108.4C3B—C4B—H4BB108.6
C3A—C4A—H4AB108.4C5B—C4B—H4BB108.6
H4AA—C4A—H4AB107.5H4BA—C4B—H4BB107.6
O1A—C5A—C6A123.1 (3)O1B—C5B—C6B123.4 (3)
O1A—C5A—C4A118.1 (2)O1B—C5B—C4B117.9 (3)
C6A—C5A—C4A118.7 (2)C6B—C5B—C4B118.7 (3)
C1A—C6A—C5A120.0 (3)C1B—C6B—C5B120.5 (2)
C1A—C6A—C7A119.6 (2)C1B—C6B—C7B119.8 (2)
C5A—C6A—C7A120.4 (2)C5B—C6B—C7B119.6 (2)
C8A—C7A—C12A117.5 (3)C12B—C7B—C8B118.1 (3)
C8A—C7A—C6A122.5 (3)C12B—C7B—C6B120.4 (2)
C12A—C7A—C6A120.0 (3)C8B—C7B—C6B121.5 (2)
C7A—C8A—C9A120.8 (3)C9B—C8B—C7B120.6 (3)
C7A—C8A—H8AA119.6C9B—C8B—H8BA119.7
C9A—C8A—H8AA119.6C7B—C8B—H8BA119.7
C10A—C9A—C8A121.3 (3)C8B—C9B—C10B120.4 (3)
C10A—C9A—H9AA119.4C8B—C9B—H9BA119.8
C8A—C9A—H9AA119.4C10B—C9B—H9BA119.8
C9A—C10A—C11A118.4 (3)C11B—C10B—C9B119.4 (3)
C9A—C10A—H10A120.8C11B—C10B—H10B120.3
C11A—C10A—H10A120.8C9B—C10B—H10B120.3
C12A—C11A—C10A120.7 (3)C10B—C11B—C12B120.1 (3)
C12A—C11A—H11A119.6C10B—C11B—H11B120.0
C10A—C11A—H11A119.6C12B—C11B—H11B120.0
C11A—C12A—C7A121.2 (3)C7B—C12B—C11B121.4 (3)
C11A—C12A—H12A119.4C7B—C12B—H12B119.3
C7A—C12A—H12A119.4C11B—C12B—H12B119.3
C3A—C13A—H13A109.5C3B—C13B—H13D109.5
C3A—C13A—H13B109.5C3B—C13B—H13G109.5
H13A—C13A—H13B109.5H13D—C13B—H13G109.5
C3A—C13A—H13C109.5C3B—C13B—H13E109.5
H13A—C13A—H13C109.5H13D—C13B—H13E109.5
H13B—C13A—H13C109.5H13G—C13B—H13E109.5
C3A—C14A—H14A109.5C3B—C14B—H14G109.5
C3A—C14A—H14B109.5C3B—C14B—H14D109.5
H14A—C14A—H14B109.5H14G—C14B—H14D109.5
C3A—C14A—H14C109.5C3B—C14B—H14E109.5
H14A—C14A—H14C109.5H14G—C14B—H14E109.5
H14B—C14A—H14C109.5H14D—C14B—H14E109.5
N1A—C1A—C2A—C3A152.2 (3)N1B—C1B—C2B—C3B148.6 (3)
C6A—C1A—C2A—C3A29.4 (5)C6B—C1B—C2B—C3B30.8 (4)
C1A—C2A—C3A—C13A170.4 (3)C1B—C2B—C3B—C4B51.9 (4)
C1A—C2A—C3A—C4A50.6 (4)C1B—C2B—C3B—C13B68.1 (3)
C1A—C2A—C3A—C14A68.6 (4)C1B—C2B—C3B—C14B172.0 (3)
C13A—C3A—C4A—C5A171.6 (3)C2B—C3B—C4B—C5B50.8 (5)
C2A—C3A—C4A—C5A50.5 (4)C13B—C3B—C4B—C5B69.2 (4)
C14A—C3A—C4A—C5A68.9 (4)C14B—C3B—C4B—C5B170.5 (4)
C3A—C4A—C5A—O1A155.3 (3)C3B—C4B—C5B—O1B154.1 (4)
C3A—C4A—C5A—C6A27.1 (4)C3B—C4B—C5B—C6B27.5 (5)
N1A—C1A—C6A—C5A178.9 (3)N1B—C1B—C6B—C5B174.9 (3)
C2A—C1A—C6A—C5A2.8 (5)C2B—C1B—C6B—C5B4.4 (4)
N1A—C1A—C6A—C7A2.5 (5)N1B—C1B—C6B—C7B1.9 (4)
C2A—C1A—C6A—C7A175.8 (3)C2B—C1B—C6B—C7B178.8 (3)
O1A—C5A—C6A—C1A179.0 (3)O1B—C5B—C6B—C1B179.1 (3)
C4A—C5A—C6A—C1A1.5 (4)C4B—C5B—C6B—C1B2.6 (5)
O1A—C5A—C6A—C7A0.4 (4)O1B—C5B—C6B—C7B2.3 (5)
C4A—C5A—C6A—C7A177.1 (3)C4B—C5B—C6B—C7B179.4 (3)
C1A—C6A—C7A—C8A72.5 (4)C1B—C6B—C7B—C12B99.1 (3)
C5A—C6A—C7A—C8A108.9 (3)C5B—C6B—C7B—C12B77.8 (3)
C1A—C6A—C7A—C12A104.5 (3)C1B—C6B—C7B—C8B80.7 (3)
C5A—C6A—C7A—C12A74.1 (4)C5B—C6B—C7B—C8B102.5 (3)
C12A—C7A—C8A—C9A0.0 (4)C12B—C7B—C8B—C9B0.4 (4)
C6A—C7A—C8A—C9A177.1 (3)C6B—C7B—C8B—C9B179.9 (3)
C7A—C8A—C9A—C10A1.5 (5)C7B—C8B—C9B—C10B0.8 (5)
C8A—C9A—C10A—C11A1.8 (5)C8B—C9B—C10B—C11B1.4 (5)
C9A—C10A—C11A—C12A0.6 (6)C9B—C10B—C11B—C12B0.9 (4)
C10A—C11A—C12A—C7A0.9 (6)C8B—C7B—C12B—C11B0.9 (4)
C8A—C7A—C12A—C11A1.2 (5)C6B—C7B—C12B—C11B179.3 (2)
C6A—C7A—C12A—C11A176.0 (3)C10B—C11B—C12B—C7B0.3 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1A—H2NA···O1B0.861.992.839 (4)169
N1B—H2NB···O1Ai0.862.032.877 (3)171
C8A—H8AA···O1Aii0.932.513.296 (4)143
N1A—H1NA···Cg10.862.613.111 (3)118
Symmetry codes: (i) x1, y+1, z+1/2; (ii) x1, y, z.
 

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